10-{[(4-chlorophenyl)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-{[(4-chlorophenyl)sulfanyl]acetyl}-11-(furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-{[(4-chlorophenyl)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: | J024-0407 |
| Compound Name: | 10-{[(4-chlorophenyl)sulfanyl]acetyl}-11-(furan-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C25 H21 Cl N2 O3 S |
| Smiles: | C1CC2=C(C(c3ccco3)N(C(CSc3ccc(cc3)[Cl])=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.19 |
| logD: | 5.0204 |
| logSw: | -5.6569 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.216 |
| InChI Key: | VKZUGTJNCQXQCX-VWLOTQADSA-N |