11-(6-methyl-4-oxo-4H-1-benzopyran-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-(6-methyl-4-oxo-4H-1-benzopyran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-methyl-4-oxo-4H-1-benzopyran-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: | 4886-7684 |
| Compound Name: | 11-(6-methyl-4-oxo-4H-1-benzopyran-2-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C27 H22 N2 O3 S |
| Smiles: | Cc1ccc2c(c1)C(C=C(C1C3=C(CC(CC3=O)c3cccs3)Nc3ccccc3N1)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0354 |
| logD: | 4.9737 |
| logSw: | -4.6465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.313 |
| InChI Key: | XBKQPHPQYRZKGH-UHFFFAOYSA-N |