Basic information
- Standard SMILES
NC(=O)C(CO)NC(=O)c1ccc2cc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)ccc2n1- InChIKey
BZAIOOFOJHNMDZ-UHFFFAOYSA-N- Molecular formula
- C27H27N5O5
- Average molar mass
- 501.5 g/mol
Names & identifiers
- Preferred name
- 2-[2-(1-Carbamoyl-2-hydroxyethylcarbamoyl)quinolin-6-yl]-1-cyclohexyl-1H-benzimidazole-5-carboxylic Acid
- IUPAC
- 2-[2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
Names & synonyms
SCHEMBL4117265BZAIOOFOJHNMDZ-UHFFFAOYSA-N2-[2-(1-Carbamoyl-2-hydroxyethylcarbamoyl)quinolin-6-yl]-1-cyclohexyl-1H-benzimidazole-5-carboxylic Acid
Database identifiers
- PubChem CID
- 6915826
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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