methyl 2-(2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8017-8603 |
| Compound Name: | methyl 2-(2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nncn1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4517 |
| logD: | 1.4379 |
| logSw: | -2.4046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.78 |
| InChI Key: | XVPVZSLKYJEDCM-UHFFFAOYSA-N |