methyl ({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D684-0093 |
| Compound Name: | methyl ({1-[4-(methylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C13 H18 N8 O2 S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCC(=O)OC)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.2906 |
| logD: | 2.2897 |
| logSw: | -2.4013 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.808 |
| InChI Key: | SNMSFKNKNIFNIC-UHFFFAOYSA-N |