benzyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V004-0111 |
| Compound Name: | benzyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5042 |
| logD: | 4.5042 |
| logSw: | -4.6403 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.297 |
| InChI Key: | JNTSTTOWISYCDG-UHFFFAOYSA-N |