Basic information
- CAS
77711-86-5- Standard SMILES
CN(C(=O)C1CN(c2ccccc2)C(=O)C1=O)c1ccc(Sc2ccccc2)cc1- InChIKey
KSGCXNZAKLAMCU-UHFFFAOYSA-N- Molecular formula
- C24H20N2O3S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.11946368
Names & identifiers
- Preferred name
- 3-Pyrrolidinecarboxamide, 4,5-dioxo-N-methyl-1-phenyl-N-(4-(phenylthio)phenyl)-
- IUPAC
- N-methyl-4,5-dioxo-1-phenyl-N-(4-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
Names & synonyms
BRN 51575114,5-Dioxo-N-methyl-1-phenyl-N-(4-(phenylthio)phenyl)-3-pyrrolidinecarboxamide77711-86-53-Pyrrolidinecarboxamide, 4,5-dioxo-N-methyl-1-phenyl-N-(4-(phenylthio)phenyl)-RefChem:282439CHEMBL170811DTXSID50998928N-Methyl-4,5-dioxo-1-phenyl-N-[4-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
Database identifiers
- CAS
77711-86-5- PubChem CID
- 3060102
- DTXSID
DTXSID50998928- ChEMBL
CHEMBL170811
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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