5-amino-N-(5-chloro-2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(5-chloro-2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(5-chloro-2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1958 |
| Compound Name: | 5-amino-N-(5-chloro-2-methoxyphenyl)-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C19 H19 Cl N6 O3 S |
| Smiles: | COc1ccc(cc1NC(c1c(N)n(CC(Nc2cccc(c2)SC)=O)nn1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6008 |
| logD: | 2.5917 |
| logSw: | -3.3947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.369 |
| InChI Key: | MORIFVBZAKXRIU-UHFFFAOYSA-N |