4-(3-cyclohexylpropanoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(3-cyclohexylpropanoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(3-cyclohexylpropanoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0731 |
| Compound Name: | 4-(3-cyclohexylpropanoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C24 H27 F N2 O2 |
| Smiles: | C1CCC(CC1)CCC(N1CC(Nc2ccc(cc2C1c1ccccc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1751 |
| logD: | 5.175 |
| logSw: | -5.3373 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.691 |
| InChI Key: | VDGVAVVIWJXYHI-DEOSSOPVSA-N |