11-(2,4-dichlorophenyl)-3,3-dimethyl-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(2,4-dichlorophenyl)-3,3-dimethyl-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2,4-dichlorophenyl)-3,3-dimethyl-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y500-0609 |
| Compound Name: | 11-(2,4-dichlorophenyl)-3,3-dimethyl-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 457.4 |
| Molecular Formula: | C25 H26 Cl2 N2 O2 |
| Smiles: | CC(C)C(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3938 |
| logD: | 6.2238 |
| logSw: | -6.1037 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.436 |
| InChI Key: | ZWXGBYYOLJRXSQ-QHCPKHFHSA-N |