11-(2,3,4-trimethoxyphenyl)-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-(2,3,4-trimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2,3,4-trimethoxyphenyl)-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: | 8014-5342 |
| Compound Name: | 11-(2,3,4-trimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C31 H34 N2 O7 |
| Smiles: | COc1ccc(C2C3=C(CC(CC3=O)c3cc(c(c(c3)OC)OC)OC)Nc3ccccc3N2)c(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8228 |
| logD: | 4.8065 |
| logSw: | -4.6539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.519 |
| InChI Key: | XUMPEUGFOXKETR-UHFFFAOYSA-N |