3-(3,4-dimethoxyphenyl)-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8010-5573 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C26 H25 N3 O3 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3ccncc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6157 |
| logD: | 3.5991 |
| logSw: | -3.6368 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.166 |
| InChI Key: | YSPATPBMNCXEOI-UHFFFAOYSA-N |