3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(pyridin-3-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)-10-hexanoyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y600-1352 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 525.65 |
| Molecular Formula: | C32 H35 N3 O4 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc12)c1cccnc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5664 |
| logD: | 5.3048 |
| logSw: | -5.0593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.416 |
| InChI Key: | WCQNWLUMYBCBJD-UHFFFAOYSA-N |