methyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V015-0342 |
| Compound Name: | methyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 384.24 |
| Molecular Formula: | C15 H11 Cl2 N3 O3 S |
| Smiles: | COC(CSc1nnc(c2ccco2)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6653 |
| logD: | 3.6652 |
| logSw: | -3.887 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.141 |
| InChI Key: | RNQYVDAUWWUSBG-UHFFFAOYSA-N |