Basic information
- Standard SMILES
COc1ccccc1CC(=O)N1CC2C(C1)C(O)(c1ccccc1OC)CCC2(C)c1ccccc1- InChIKey
PBSHCJUXTDACJI-UHFFFAOYSA-N- Molecular formula
- C31H35NO4
- Average molar mass
- 485.6 g/mol
Names & identifiers
- Preferred name
- (3aRS,4RS,7SR,7aRS)-7-methyl-7-phenyl-4-(2-methoxyphenyl)-2-[(2-methoxyphenyl)acetyl]-4perhydroisoindolol
- IUPAC
- 1-[4-hydroxy-4-(2-methoxyphenyl)-7-methyl-7-phenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)ethanone
Names & synonyms
SCHEMBL8874686PBSHCJUXTDACJI-UHFFFAOYSA-N(3aRS,4RS,7SR,7aRS)-7-methyl-7-phenyl-4-(2-methoxyphenyl)-2-[(2-methoxyphenyl)acetyl]-4perhydroisoindolol
Database identifiers
- PubChem CID
- 67714239
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 753
Related reactions
2 records
Compound notes
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