3-(thiophen-2-yl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(thiophen-2-yl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(thiophen-2-yl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4886-7670 |
| Compound Name: | 3-(thiophen-2-yl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C26 H26 N2 O4 S |
| Smiles: | COc1ccc(C2C3=C(CC(CC3=O)c3cccs3)Nc3ccccc3N2)c(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8254 |
| logD: | 4.8134 |
| logSw: | -4.576 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.56 |
| InChI Key: | QBFAMPIUGRFWST-UHFFFAOYSA-N |