3-(thiophen-2-yl)-11-(thiophen-3-yl)-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-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(thiophen-2-yl)-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0047 |
| Compound Name: | 3-(thiophen-2-yl)-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 378.51 |
| Molecular Formula: | C21 H18 N2 O S2 |
| Smiles: | C1C(CC(C2C(c3ccsc3)Nc3ccccc3NC1=2)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6293 |
| logD: | 4.6161 |
| logSw: | -4.6295 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.513 |
| InChI Key: | DECVIFBAUGYMJO-UHFFFAOYSA-N |