methyl {[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5347 |
| Compound Name: | methyl {[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 323.8 |
| Molecular Formula: | C14 H14 Cl N3 O2 S |
| Smiles: | COC(CSc1nnc(c2cccc(c2)[Cl])n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3222 |
| logD: | 3.3222 |
| logSw: | -3.697 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.07 |
| InChI Key: | JDKNSYGNGCFGQV-UHFFFAOYSA-N |