ethyl 4-{2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5847-1378 |
| Compound Name: | ethyl 4-{2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 321.36 |
| Molecular Formula: | C13 H15 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(N)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9193 |
| logD: | 0.7912 |
| logSw: | -2.2908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 97.115 |
| InChI Key: | WIOJYGUNICGABE-UHFFFAOYSA-N |