5-amino-N-[(4-methylphenyl)methyl]-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(4-methylphenyl)methyl]-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(4-methylphenyl)methyl]-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1190 |
| Compound Name: | 5-amino-N-[(4-methylphenyl)methyl]-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | Cc1ccc(CNC(c2c(N)n(CC(Nc3cccc(c3)SC)=O)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1643 |
| logD: | 2.1643 |
| logSw: | -2.8385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | OUSDCNJCNXJFBX-UHFFFAOYSA-N |