5-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8014-1189 |
| Compound Name: | 5-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 359.37 |
| Molecular Formula: | C13 H13 N9 O2 S |
| Smiles: | Cn1c(nnn1)SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4604 |
| logD: | -0.464 |
| logSw: | -1.9822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.261 |
| InChI Key: | ZTEOWANQFZTQRV-UHFFFAOYSA-N |