4-(4-butylcyclohexane-1-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(4-butylcyclohexane-1-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(4-butylcyclohexane-1-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0047 |
| Compound Name: | 4-(4-butylcyclohexane-1-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C27 H33 F N2 O2 |
| Smiles: | CCCCC1CCC(CC1)C(N1CC(Nc2ccc(C)cc2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5891 |
| logD: | 6.5891 |
| logSw: | -5.5878 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.218 |
| InChI Key: | CQTDRVHHPKDWQK-WGJJQBRPSA-N |