propan-2-yl 3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propan-2-yl 3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
propan-2-yl 3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8011-8335 |
| Compound Name: | propan-2-yl 3-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | CC(C)OC(c1cccc(c1)NC(CSc1nncn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.072 |
| logD: | 2.072 |
| logSw: | -2.8144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.314 |
| InChI Key: | XHBKDJWUSJORAM-UHFFFAOYSA-N |