Basic information
- Standard SMILES
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@@H](N=[N+]=[N-])C[C@@H]12- InChIKey
FENJXKPBCZUKHB-NYLIBXOJSA-N- Molecular formula
- C19H25N3O2
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- 16beta-Azido-3-methoxy-estra-1,3,5(10)-triene-17alpha-ol
- IUPAC
- (8R,9S,13S,14S,16S,17S)-16-azido-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Names & synonyms
SCHEMBL15301186FENJXKPBCZUKHB-NYLIBXOJSA-N16beta-Azido-3-methoxy-estra-1,3,5(10)-triene-17alpha-ol
Database identifiers
- PubChem CID
- 21723403
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
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