Basic information
- Standard SMILES
Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(c3ccccc3)C(=O)C[C@@]21Cc1ccccc1- InChIKey
OXDFZRRJCGHVAI-RCFSOVDESA-N- Molecular formula
- C34H32N2O3
- Average molar mass
- 516.6 g/mol
Names & identifiers
- Preferred name
- (4bR,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-6-oxo-7-phenyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide
- IUPAC
- (4bR,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methyl-3-pyridinyl)-6-oxo-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxamide
Names & synonyms
SCHEMBL1572241OXDFZRRJCGHVAI-RCFSOVDESA-N(4bR,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-6-oxo-7-phenyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide
Database identifiers
- PubChem CID
- 59243446
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 880
Related reactions
4 records
Compound notes
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