3-(2-chlorophenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2-chlorophenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0081 |
| Compound Name: | 3-(2-chlorophenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C28 H27 Cl N2 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2=C(CC(CC2=O)c2ccccc2[Cl])Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.577 |
| logD: | 5.5606 |
| logSw: | -6.0373 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.454 |
| InChI Key: | VTNYSRDXSOOTAY-UHFFFAOYSA-N |