Basic information
- Standard SMILES
CCOC(=O)C1(Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)CCN(C2CCc3nc[nH]c3C2)C1=O- InChIKey
UFORDESOPQIAHX-UHFFFAOYSA-N- Molecular formula
- C28H29Cl2N3O4
- Average molar mass
- 542.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Benzyloxy-2,6-dichloro-benzyl)-2-oxo-1-(4,5,6,7-tetrahydro-3H-benzoimidazol-5-yl)-pyrrolidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-2-oxo-1-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL3453343UFORDESOPQIAHX-UHFFFAOYSA-N3-(4-Benzyloxy-2,6-dichloro-benzyl)-2-oxo-1-(4,5,6,7-tetrahydro-3H-benzoimidazol-5-yl)-pyrrolidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68648331
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 800
Related reactions
3 records
Compound notes
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