2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V020-6269 |
| Compound Name: | 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 453.35 |
| Molecular Formula: | C19 H18 Cl2 N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CC(CNC(CSc2nnc(c3ccco3)n2c2ccc(c(c2)[Cl])[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1821 |
| logD: | 3.1821 |
| logSw: | -3.4949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.417 |
| InChI Key: | NVHKEHSPLFHYQC-CYBMUJFWSA-N |