11-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0042 |
| Compound Name: | 11-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 495.4 |
| Molecular Formula: | C27 H24 Cl2 N2 O3 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3ccc(c(c3)[Cl])[Cl])Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3394 |
| logD: | 6.3231 |
| logSw: | -6.346 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.737 |
| InChI Key: | HYNFUZRDUBKOIQ-UHFFFAOYSA-N |