11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y500-1139 |
| Compound Name: | 11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 473.4 |
| Molecular Formula: | C25 H26 Cl2 N2 O3 |
| Smiles: | CCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cc(cc(c1OC)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8612 |
| logD: | 5.6314 |
| logSw: | -5.9865 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.626 |
| InChI Key: | WLXAZQLLFGAHQF-QHCPKHFHSA-N |