N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | P016-4175 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfanyl)phenyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C22 H18 Cl N5 O S |
| Smiles: | CSc1ccc(cc1)n1c(c2ccccn2)c(C(NCc2ccccc2[Cl])=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5076 |
| logD: | 4.5076 |
| logSw: | -4.4642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.3 |
| InChI Key: | JRXJTCHSWUIPCA-UHFFFAOYSA-N |