Basic information
- Standard SMILES
O=C(O)C1Cc2ccccc2CN1C(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2C1CCCCC1- InChIKey
LAYMXNNDBXSIKI-UHFFFAOYSA-N- Molecular formula
- C38H33N5O3
- Average molar mass
- 607.7 g/mol
- Monoisotopic mass
- 607.25833993
Names & identifiers
- Preferred name
- 2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
- IUPAC
- 2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL4125529LAYMXNNDBXSIKI-UHFFFAOYSA-N2-[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid2-[1-cyclohexyl-2-(2-phenyl-quinoxalin-6-yl)-1h-benzoimidazole-5-carbonyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid3-Isoquinolinecarboxylic acid, 2-[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-1H-benzimidazol-5-yl]carbonyl]-1,2,3,4-tetrahydro-
Database identifiers
- PubChem CID
- 5276199
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
Loading…