methyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D396-0045 |
| Compound Name: | methyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 334.4 |
| Molecular Formula: | C14 H18 N6 O2 S |
| Smiles: | Cc1cc(nc(n1)n1cnc(n1)SCC(=O)OC)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.2258 |
| logD: | 2.155 |
| logSw: | -2.2719 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.065 |
| InChI Key: | DEPXVULMKJNMNX-UHFFFAOYSA-N |