5-(2-{[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(2-{[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-(2-{[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8016-0077 |
| Compound Name: | 5-(2-{[1-(3-acetylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 463.48 |
| Molecular Formula: | C20 H17 N9 O3 S |
| Smiles: | CC(c1cccc(c1)n1c(nnn1)SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.83 |
| logD: | 0.8271 |
| logSw: | -2.2585 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 136.667 |
| InChI Key: | WZSDNPYDOXECRN-UHFFFAOYSA-N |