N-(2,4-dichlorophenyl)-2-[(6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-dichlorophenyl)-2-[(6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide
N-(2,4-dichlorophenyl)-2-[(6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8017-9886 |
| Compound Name: | N-(2,4-dichlorophenyl)-2-[(6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 582.42 |
| Molecular Formula: | C26 H17 Cl2 N5 O5 S |
| Smiles: | Cc1cc2/C(=C\c3c[nH]nc3c3cccc(c3)[N+]([O-])=O)OC(c2c(n1)SCC(Nc1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5294 |
| logD: | 5.5218 |
| logSw: | -6.0256 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.358 |
| InChI Key: | FGMBRFGKJHIPPU-UHFFFAOYSA-N |