5-amino-N-(2,5-dimethoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2,5-dimethoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2,5-dimethoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1430 |
| Compound Name: | 5-amino-N-(2,5-dimethoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C20 H22 N6 O4 S |
| Smiles: | COc1ccc(c(c1)NC(c1c(N)n(CC(Nc2cccc(c2)SC)=O)nn1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0313 |
| logD: | 2.0302 |
| logSw: | -3.0021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.913 |
| InChI Key: | KTXRPPAVZCCRAC-UHFFFAOYSA-N |