methyl ({5-[1-(4-methoxyphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[1-(4-methoxyphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-[1-(4-methoxyphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y205-8687 |
| Compound Name: | methyl ({5-[1-(4-methoxyphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | CC(c1nnc(n1CC=C)SCC(=O)OC)Oc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7759 |
| logD: | 2.7759 |
| logSw: | -2.9892 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.402 |
| InChI Key: | KCEFROLCAOHZSL-LBPRGKRZSA-N |