methyl 2-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-5854 |
| Compound Name: | methyl 2-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 371.42 |
| Molecular Formula: | C17 H17 N5 O3 S |
| Smiles: | Cc1cc(C)n2c(n1)nc(n2)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7558 |
| logD: | 1.742 |
| logSw: | -2.7348 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.906 |
| InChI Key: | DFHUFAWVMBLMIN-UHFFFAOYSA-N |