5-{2-[(1-tert-butyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-{2-[(1-tert-butyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-{2-[(1-tert-butyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8014-2742 |
| Compound Name: | 5-{2-[(1-tert-butyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 401.45 |
| Molecular Formula: | C16 H19 N9 O2 S |
| Smiles: | CC(C)(C)n1c(nnn1)SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7283 |
| logD: | 0.7246 |
| logSw: | -2.0588 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.807 |
| InChI Key: | DAQGZPWYNLADRK-UHFFFAOYSA-N |