10-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-11-(furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-11-(furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-11-(furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0403 |
| Compound Name: | 10-{[(1H-benzimidazol-2-yl)sulfanyl]acetyl}-11-(furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | C1CC2=C(C(c3ccco3)N(C(CSc3nc4ccccc4[nH]3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9417 |
| logD: | 3.7712 |
| logSw: | -4.2492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.229 |
| InChI Key: | YQJGDOKEFXIRHE-VWLOTQADSA-N |