Basic information
- Standard SMILES
COC(=O)CC(=O)NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCCC1- InChIKey
FSOXQHVTBVPJKP-UHFFFAOYSA-N- Molecular formula
- C30H31N3O6S
- Average molar mass
- 561.6 g/mol
Names & identifiers
- Preferred name
- 3-[2-(4-Benzyloxyphenyl)-1-cyclohexyl-1H-benzimidazole-5-sulfonylamino]-3-oxo-propionic acid methyl ester
- IUPAC
- methyl 3-[[1-cyclohexyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]sulfonylamino]-3-oxopropanoate
Names & synonyms
SCHEMBL6790948FSOXQHVTBVPJKP-UHFFFAOYSA-N3-[2-(4-Benzyloxyphenyl)-1-cyclohexyl-1H-benzimidazole-5-sulfonylamino]-3-oxo-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69896407
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 951
Related reactions
2 records
Compound notes
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