7-bromo-4-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-bromo-4-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-bromo-4-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0175 |
| Compound Name: | 7-bromo-4-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 445.33 |
| Molecular Formula: | C22 H22 Br F N2 O2 |
| Smiles: | C1CCC(CC1)C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0913 |
| logD: | 5.0913 |
| logSw: | -5.0941 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.218 |
| InChI Key: | ZERIXBCOBPAKFX-NRFANRHFSA-N |