Ethyl 5,6-Dihydro-6-[(4-methylphenyl)sulfonyl]-4H-thieno[3,2-d][1]benzazepine-2-carboxylate - CAS 153894-28-1
Catalog: |
BB010948 |
Product Name: |
Ethyl 5,6-Dihydro-6-[(4-methylphenyl)sulfonyl]-4H-thieno[3,2-d][1]benzazepine-2-carboxylate |
CAS: |
153894-28-1 |
Synonyms: |
6-(4-methylphenyl)sulfonyl-4,5-dihydrothieno[2,3-d][1]benzazepine-2-carboxylic acid ethyl ester; ethyl 6-(4-methylphenyl)sulfonyl-4,5-dihydrothieno[2,3-d][1]benzazepine-2-carboxylate |
IUPAC Name: | ethyl 6-(4-methylphenyl)sulfonyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylate |
Description: | Ethyl 5,6-Dihydro-6-[(4-methylphenyl)sulfonyl]-4H-thieno[3,2-d][1]benzazepine-2-carboxylate (CAS# 153894-28-1 ) is a useful research chemical. |
Molecular Weight: | 427.54 |
Molecular Formula: | C22H21NO4S2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(S1)CCN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C |
InChI: | InChI=1S/C22H21NO4S2/c1-3-27-22(24)21-14-18-17-6-4-5-7-19(17)23(13-12-20(18)28-21)29(25,26)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3 |
InChI Key: | XTGGBMGONUPHNO-UHFFFAOYSA-N |
LogP: | 5.79740 |
Publication Number | Title | Priority Date |
US-2017226129-A1 | Heterocyclic compounds as rsv inhibitors | 20160115 |
US-2019040084-A1 | Heterocyclic compounds as rsv inhibitors | 20160115 |
WO-2017123884-A1 | Heterocyclic compounds as rsv inhibitors | 20160115 |
US-10759816-B2 | Heterocyclic compounds as RSV inhibitors | 20160115 |
US-2017355718-A1 | Novel 5,6-Dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives | 20141218 |
Complexity: | 683 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 427.0912005 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 427.0912005 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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