methyl 2-(2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G856-7732 |
| Compound Name: | methyl 2-(2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 371.42 |
| Molecular Formula: | C17 H17 N5 O3 S |
| Smiles: | Cc1nnc(n1n1cccc1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6491 |
| logD: | 1.6353 |
| logSw: | -2.5815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.821 |
| InChI Key: | OTDCUDIRYKOCRP-UHFFFAOYSA-N |