TMC647055 - CAS 1204416-97-6

Catalog:	BB042509
Product Name:	TMC647055
CAS:	1204416-97-6
Synonyms:	TMC647055;1204416-97-6;TMC-647055;TMC 647055;11BD024G7J;2,19-Methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione, 27-cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-, 10,10-dioxide;28-cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione;UNII-11BD024G7J;SCHEMBL1239667;CHEMBL2043025;DTXSID90152860;BDBM243456;BCP06459;EX-A1252;DB11822;SB16907;NCGC00482982-02;113-cyclohexyl-13-methoxy-5,11-dimethyl-17H-8-oxa-4-thia-3,5,11-triaza-1(10,6)-benzo[3,4]azepino[1,2-a]indolacyclododecaphane-2,12-dione 4,4-dioxide;AC-35964;DA-47229;HY-15591;CS-0007798;NS00072997;US9427440, 1;A856345;BRD-K49659468-436-01-2;Q27251314;27-Cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-2,19-methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione 10,10-dioxide;

Technical Data

IUPAC Name:	28-cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
Description:	28-Cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione (CAS# 1204416-97-6 ) is a useful research chemical.
Molecular Weight:	606.73
Molecular Formula:	C32H38N4O6S
Canonical SMILES:	COC1=CC2=C(C=C1)C3=C(C4CCCCC4)C5=CC=C(C6=O)C=C5N3CC(C(N(C)CCOCCN(S(N6)(=O)=O)C)=O)=C2
InChI:	InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)
InChI Key:	UOBYJVFBFSLCTQ-UHFFFAOYSA-N
Storage:	Please store the product under the recommended conditions in the Certificate of Analysis.

Complexity:	1170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	606.25120612
Formal Charge:	0
Heavy Atom Count:	43
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	606.25120612
Rotatable Bond Count:	2
Topological Polar Surface Area:	119
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2