7-chloro-5-phenyl-4-(2-phenylbutanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-chloro-5-phenyl-4-(2-phenylbutanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-chloro-5-phenyl-4-(2-phenylbutanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0646 |
| Compound Name: | 7-chloro-5-phenyl-4-(2-phenylbutanoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C25 H23 Cl N2 O2 |
| Smiles: | CCC(C(N1CC(Nc2ccc(cc2C1c1ccccc1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4926 |
| logD: | 5.4926 |
| logSw: | -5.9602 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.026 |
| InChI Key: | IBWLYMLJGTZVNX-UHFFFAOYSA-N |