11-(pyridin-4-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(pyridin-4-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(pyridin-4-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-5326 |
| Compound Name: | 11-(pyridin-4-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3ccncc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.658 |
| logD: | 3.6415 |
| logSw: | -3.8222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.883 |
| InChI Key: | HRVLEZPULQITFY-UHFFFAOYSA-N |