7-chloro-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-chloro-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-chloro-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0643 |
| Compound Name: | 7-chloro-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C25 H23 Cl N2 O4 |
| Smiles: | COc1ccc(CC(N2CC(Nc3ccc(cc3C2c2ccccc2)[Cl])=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2408 |
| logD: | 4.2408 |
| logSw: | -4.5887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.759 |
| InChI Key: | UWTQOJCXNPNVNE-VWLOTQADSA-N |