benzyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V003-1334 |
| Compound Name: | benzyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1CC=C)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8911 |
| logD: | 4.8911 |
| logSw: | -4.8864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.753 |
| InChI Key: | ZWIJSAKNJOYGSC-UHFFFAOYSA-N |