methyl {[5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-8688 |
| Compound Name: | methyl {[5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)OCc1nnc(n1CC=C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4176 |
| logD: | 3.4176 |
| logSw: | -3.5661 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.545 |
| InChI Key: | GAXLSBOJYBXKDB-UHFFFAOYSA-N |