Androst-4-en-3-one, 17-beta-(2-(p-ethoxyanilino)-4-thiazolyl)-17-alpha-hydroxy-
Basic information
- CAS
98274-62-5- Standard SMILES
CCOc1ccc(Nc2nc([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)cs2)cc1- InChIKey
TVNWBUGGIJNWIX-WUDNVTLISA-N- Molecular formula
- C30H38N2O3S
- Average molar mass
- 506.7 g/mol
- Monoisotopic mass
- 506.26031425
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-beta-(2-(p-ethoxyanilino)-4-thiazolyl)-17-alpha-hydroxy-
- IUPAC
- (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
Names & synonyms
17-beta-(2-(p-Ethoxyanilino)-4-thiazolyl)-17-alpha-hydroxyandrost-4-en-3-one98274-62-5ANDROST-4-EN-3-ONE, 17-beta-(2-(p-ETHOXYANILINO)-4-THIAZOLYL)-17-alpha-HYDROXY-RefChem:319526DTXSID4091334717-[2-(4-Ethoxyanilino)-1,3-thiazol-4-yl]-17-hydroxyandrost-4-en-3-one17beta-[2-(4-Ethoxyanilino)-1,3-thiazol-4-yl]-17alpha-hydroxyandrost-4-en-3-one
Database identifiers
- CAS
98274-62-5- PubChem CID
- 57353
- DTXSID
DTXSID40913347
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 887
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Compound notes
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