N-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E141-1065 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | Cc1c(C(Nc2ccc(c(c2)[Cl])OC)=O)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.8044 |
| logD: | 3.7937 |
| logSw: | -4.3072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.803 |
| InChI Key: | HSJXQRZFISGSAP-UHFFFAOYSA-N |