3-(thiophen-2-yl)-11-(3,4,5-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-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(thiophen-2-yl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0120 |
| Compound Name: | 3-(thiophen-2-yl)-11-(3,4,5-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: | COc1cc(cc(c1OC)OC)C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6469 |
| logD: | 4.6347 |
| logSw: | -4.4783 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.473 |
| InChI Key: | GROCIZPIUGGMEV-UHFFFAOYSA-N |