Basic information
- Standard SMILES
O=C(NC(CC1CCCCC1)C(=O)O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2C1CCCCC1- InChIKey
LYZCOAIUEBSPHQ-UHFFFAOYSA-N- Molecular formula
- C37H39N5O3
- Average molar mass
- 601.7 g/mol
Names & identifiers
- Preferred name
- 3-Cyclohexyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid
- IUPAC
- 3-cyclohexyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid
Names & synonyms
SCHEMBL4125087LYZCOAIUEBSPHQ-UHFFFAOYSA-N3-cyclohexyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid3-cyclohexyl-2-{[1-cyclohexyl-2-(2-phenyl-quinoxalin-6-yl)-1h-benzoimidazole-5-carbonyl]-amino}-propionic acidCyclohexanepropanoic acid, alpha-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-1H-benzimidazol-5-yl]carbonyl]amino]-
Database identifiers
- PubChem CID
- 5276167
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 993
Related reactions
9 records
Compound notes
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