methyl {[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1993 |
| Compound Name: | methyl {[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C18 H16 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)[Cl])nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4257 |
| logD: | 4.4257 |
| logSw: | -4.6307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.563 |
| InChI Key: | QWSURMVLDQZXPJ-UHFFFAOYSA-N |