methyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7434 |
| Compound Name: | methyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 303.38 |
| Molecular Formula: | C15 H17 N3 O2 S |
| Smiles: | Cc1cccc(c1)c1nnc(n1CC=C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0305 |
| logD: | 3.0305 |
| logSw: | -3.0754 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.07 |
| InChI Key: | SQCGGXCRNWIOQY-UHFFFAOYSA-N |