5-amino-N-(2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-1414 |
| Compound Name: | 5-amino-N-(2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C19 H20 N6 O3 S |
| Smiles: | COc1ccccc1NC(c1c(N)n(CC(Nc2cccc(c2)SC)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.101 |
| logD: | 2.1009 |
| logSw: | -3.0102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.369 |
| InChI Key: | ATUMWDDDVGJLAM-UHFFFAOYSA-N |