Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate - CAS 1869118-24-0

Catalog:	BB054163
Product Name:	Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate
CAS:	1869118-24-0
Synonyms:	N-[5-[(4-Methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid ethyl ester; Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, ethyl ester; ethyl N-[5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamate; Ethyl (5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)carbamate

Technical Data

IUPAC Name:	ethyl N-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]carbamate
Molecular Weight:	360.39
Molecular Formula:	C16H16N4O4S
Canonical SMILES:	CCOC(=O)NC1=CN=C2C(=N1)C=CN2S(=O)(=O)C3=CC=C(C=C3)C
InChI:	InChI=1S/C16H16N4O4S/c1-3-24-16(21)19-14-10-17-15-13(18-14)8-9-20(15)25(22,23)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,19,21)
InChI Key:	NROPCWMCOWTXAZ-UHFFFAOYSA-N
Purity:	≥95%
Density:	1.43±0.1 g/cm3 (Predicted)
Storage:	Store at RT under inert atmosphere

Complexity:	571
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	360.08922618
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	360.08922618
Rotatable Bond Count:	5
Topological Polar Surface Area:	112
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2