Basic information
- Standard SMILES
COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3cccc4ccccc34)CC21- InChIKey
OKXGTJIYYWNBSO-UHFFFAOYSA-N- Molecular formula
- C39H37NO4
- Average molar mass
- 583.7 g/mol
- Monoisotopic mass
- 583.27225866
Names & identifiers
- Preferred name
- (3aRS,4RS,5RS,7aRS)-7,7-diphenyl-4-(2methoxyphenyl)-2-[(1-naphthyl)acetyl]perhydro-4,5-isoindolediol
- IUPAC
- 1-[4,5-dihydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-naphthalen-1-ylethanone
Names & synonyms
SCHEMBL8895688OKXGTJIYYWNBSO-UHFFFAOYSA-N(3aRS,4RS,5RS,7aRS)-7,7-diphenyl-4-(2methoxyphenyl)-2-[(1-naphthyl)acetyl]perhydro-4,5-isoindolediol
Database identifiers
- PubChem CID
- 67719299
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 955
Related reactions
2 records
Compound notes
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