4-(4-butylcyclohexane-1-carbonyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(4-butylcyclohexane-1-carbonyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(4-butylcyclohexane-1-carbonyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0427 |
| Compound Name: | 4-(4-butylcyclohexane-1-carbonyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 440.53 |
| Molecular Formula: | C26 H30 F2 N2 O2 |
| Smiles: | CCCCC1CCC(CC1)C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.292 |
| logD: | 6.292 |
| logSw: | -5.4473 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.218 |
| InChI Key: | NAEPYRHHQRJPOV-HGEUABKPSA-N |