1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | G684-0172 |
| Compound Name: | 1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | Cc1c(C(Nc2cccc(c2)SC)=O)nnn1Cc1c(C)oc(c2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3977 |
| logD: | 4.3976 |
| logSw: | -4.6292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.159 |
| InChI Key: | AEOMYMVRYCOPHK-UHFFFAOYSA-N |