17-beta-(2-(p-Ethoxyanilino)-4-thiazolyl)-17-alpha-hydroxyandrost-4-en-3-one

(8R,9S,10R,13S,14S,17R)-17-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

CAS: 98274-62-5

Molecular Formula	`C30H38N2O3S`
Molecular Weight	506.7 g/mol
LogP	6.2
Topological Polar Surface Area	99.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	506.2603
Heavy Atoms	36
Complexity	887.0

Chemical Identifiers

CAS Number	98274-62-5
SMILES	`CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(=O)CCC56C)C)O`
InChIKey	`TVNWBUGGIJNWIX-WUDNVTLISA-N`

📖 Product Overview

17-beta-(2-(p-Ethoxyanilino)-4-thiazolyl)-17-alpha-hydroxyandrost-4-en-3-one (CAS: 98274-62-5) is a chemical compound with molecular formula C30H38N2O3S and molecular weight 506.7 g/mol. Its IUPAC systematic name is (8R,9S,10R,13S,14S,17R)-17-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one. LogP 6.2 Topological Polar Surface Area 99.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 506.2603 Heavy Atoms 36 Complexity 887.0 InChI Key: TVNWBUGGIJNWIX-WUDNVTLISA-N. SMILES: CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(=O)CCC56C)C)O.

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