5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-2246 |
| Compound Name: | 5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | CSc1cccc(c1)NC(Cn1c(c(C(NCCc2ccccc2)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6745 |
| logD: | 1.6745 |
| logSw: | -2.5268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.601 |
| InChI Key: | ZDTDBUDLJYYBIS-UHFFFAOYSA-N |