3-(3,4-dichlorophenyl)-11-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-11-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dichlorophenyl)-11-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4899 |
| Compound Name: | 3-(3,4-dichlorophenyl)-11-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 579.53 |
| Molecular Formula: | C35 H28 Cl2 N2 O2 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)[Cl])[Cl])Nc2ccccc2N1C(/C=C/c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.9498 |
| logD: | 8.7088 |
| logSw: | -6.4616 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.366 |
| InChI Key: | MRXPWHKJWVIFNP-UHFFFAOYSA-N |