ethyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D396-0046 |
| Compound Name: | ethyl ({1-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C15 H20 N6 O2 S |
| Smiles: | CCOC(CSc1ncn(c2nc(C)cc(n2)N2CCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8169 |
| logD: | 2.7461 |
| logSw: | -2.9015 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.645 |
| InChI Key: | CBUBLMBRLQFVQA-UHFFFAOYSA-N |