11-(5-methylfuran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(5-methylfuran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(5-methylfuran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0171 |
| Compound Name: | 11-(5-methylfuran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C22 H20 N2 O2 S |
| Smiles: | Cc1ccc(C2C3=C(CC(CC3=O)c3cccs3)Nc3ccccc3N2)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6474 |
| logD: | 4.6273 |
| logSw: | -4.3567 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.587 |
| InChI Key: | QPOWVLHAWKZWSG-UHFFFAOYSA-N |