4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0081 |
| Compound Name: | 4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C27 H27 F N2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C(N1CC(Nc2ccc(C)cc2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7404 |
| logD: | 5.7404 |
| logSw: | -5.3139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.444 |
| InChI Key: | MWFKBEPWXXRVIY-SANMLTNESA-N |