3-(4-chlorophenyl)-11-(2,3-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-11-(2,3-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-(2,3-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | 3176-5156 |
Compound Name: | 3-(4-chlorophenyl)-11-(2,3-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 460.96 |
Molecular Formula: | C27 H25 Cl N2 O3 |
Smiles: | COc1cccc(C2C3=C(CC(CC3=O)c3ccc(cc3)[Cl])Nc3ccccc3N2)c1OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.8369 |
logD: | 5.8206 |
logSw: | -6.3019 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 51.824 |
InChI Key: | DLADOAYNOOCYAW-UHFFFAOYSA-N |