1-{2-(4-chlorophenyl)-5-[3-(1H-tetrazol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-(4-chlorophenyl)-5-[3-(1H-tetrazol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{2-(4-chlorophenyl)-5-[3-(1H-tetrazol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0069 |
| Compound Name: | 1-{2-(4-chlorophenyl)-5-[3-(1H-tetrazol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 380.79 |
| Molecular Formula: | C17 H13 Cl N8 O |
| Smiles: | CC(c1c(Nc2cccc(c2)n2cnnn2)nn(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9445 |
| logD: | 2.9445 |
| logSw: | -3.5283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.486 |
| InChI Key: | PNQBPBPTJCZKLH-UHFFFAOYSA-N |