methyl {[5-(4,5-dimethylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4,5-dimethylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4,5-dimethylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7428 |
| Compound Name: | methyl {[5-(4,5-dimethylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 323.43 |
| Molecular Formula: | C14 H17 N3 O2 S2 |
| Smiles: | Cc1c(csc1C)c1nnc(n1CC=C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9305 |
| logD: | 2.9299 |
| logSw: | -3.0655 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.088 |
| InChI Key: | YEYIWCAGCPQQAH-UHFFFAOYSA-N |