Octahydro-1-[(4-hydroxyphenyl)methyl]-3-(1-naphthalenyl)-4,6-dioxo-5-(phenylmethyl)pyrrolo[3,4-c]pyrrole-1-carboxylic acid
Basic information
- CAS
1022363-12-7- Standard SMILES
O=C1C2C(c3cccc4ccccc34)NC(Cc3ccc(O)cc3)(C(=O)O)C2C(=O)N1Cc1ccccc1- InChIKey
QCSBMNQRZNCICK-UHFFFAOYSA-N- Molecular formula
- C31H26N2O5
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.18417193
Names & identifiers
- Preferred name
- Octahydro-1-[(4-hydroxyphenyl)methyl]-3-(1-naphthalenyl)-4,6-dioxo-5-(phenylmethyl)pyrrolo[3,4-c]pyrrole-1-carboxylic acid
- IUPAC
- 5-benzyl-3-[(4-hydroxyphenyl)methyl]-1-naphthalen-1-yl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
Names & synonyms
DTXSID9011045811022363-12-7Octahydro-1-[(4-hydroxyphenyl)methyl]-3-(1-naphthalenyl)-4,6-dioxo-5-(phenylmethyl)pyrrolo[3,4-c]pyrrole-1-carboxylic acid
Database identifiers
- CAS
1022363-12-7- PubChem CID
- 3680552
- DTXSID
DTXSID901104581
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 910
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Compound notes
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