5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-1417 |
| Compound Name: | 5-amino-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C17 H18 N6 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(Cn1c(c(C(NCc2cccs2)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.716 |
| logD: | 1.716 |
| logSw: | -2.6275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 94.777 |
| InChI Key: | SYYKSHMITGIKFS-UHFFFAOYSA-N |