1-benzyl-5-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-benzyl-5-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
1-benzyl-5-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8012-8821 |
| Compound Name: | 1-benzyl-5-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 576.04 |
| Molecular Formula: | C26 H22 Cl N9 O3 S |
| Smiles: | COc1ccccc1NC(c1c(NC(CSc2nnnn2c2ccc(cc2)[Cl])=O)n(Cc2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0796 |
| logD: | 4.0789 |
| logSw: | -4.6135 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.441 |
| InChI Key: | UDZHDCOTDYGVIG-UHFFFAOYSA-N |