methyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1972 |
| Compound Name: | methyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7094 |
| logD: | 3.7094 |
| logSw: | -3.9947 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.563 |
| InChI Key: | NZGJTJOIRYYJIZ-UHFFFAOYSA-N |