Basic information
- CAS
95744-62-0- Standard SMILES
CCNc1nc([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1- InChIKey
HRFKXXIXEPTBPC-PDUMRIMRSA-N- Molecular formula
- C24H34N2O2S
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 414.23409951
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-beta-(2-(ethylamino)-4-thiazolyl)-17-alpha-hydroxy-
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-[2-(ethylamino)-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-(Ethylamino)-4-thiazolyl)-17-alpha-hydroxyandrost-4-en-3-one95744-62-0Androst-4-en-3-one, 17beta-(2-(ethylamino)-4-thiazolyl)-17-hydroxy-ANDROST-4-EN-3-ONE, 17-beta-(2-(ETHYLAMINO)-4-THIAZOLYL)-17-alpha-HYDROXY-RefChem:319521DTXSID5091482517-[2-(Ethylimino)-2,3-dihydro-1,3-thiazol-4-yl]-17-hydroxyandrost-4-en-3-one17beta-[2-(Ethylimino)-2,3-dihydro-1,3-thiazol-4-yl]-17alpha-hydroxyandrost-4-en-3-one
Database identifiers
- CAS
95744-62-0- PubChem CID
- 56965
- DTXSID
DTXSID50914825
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 726
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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