Basic information
- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C#N)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Sc1ccccn1- InChIKey
SJPOVWGOESAUHV-YBYOAESISA-N- Molecular formula
- C26H30N2OS
- Average molar mass
- 418.6 g/mol
Names & identifiers
- Preferred name
- S-2pyridyl 3-cyanoandrosta-3,5-diene-17beta-thiocarboxylate
- IUPAC
- S-pyridin-2-yl (8S,9S,10R,13S,14S,17S)-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carbothioate
Names & synonyms
SCHEMBL8634123SJPOVWGOESAUHV-YBYOAESISA-NS-2-pyridyl 3-cyanoandrosta-3,5 -diene-17beta-thiocarboxylateS-2-pyridyl 3-cyanoandrosta-3,5-diene-17beta-thiocarboxylateS-2pyridyl 3-cyanoandrosta-3,5-diene-17beta-thiocarboxylate
Database identifiers
- PubChem CID
- 15380265
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 837
Related reactions
71 records
Compound notes
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