11-(6,8-dichloro-4-oxo-4H-1-benzopyran-3-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-(6,8-dichloro-4-oxo-4H-1-benzopyran-3-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6,8-dichloro-4-oxo-4H-1-benzopyran-3-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: | 8014-5329 |
| Compound Name: | 11-(6,8-dichloro-4-oxo-4H-1-benzopyran-3-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 509.41 |
| Molecular Formula: | C26 H18 Cl2 N2 O3 S |
| Smiles: | C1C(CC(C2C(C3=COc4c(cc(cc4[Cl])[Cl])C3=O)Nc3ccccc3NC1=2)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9363 |
| logD: | 5.8542 |
| logSw: | -6.1416 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.072 |
| InChI Key: | DPIKRURGINQRJE-UHFFFAOYSA-N |