4-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)pyrimidine
Chemical Structure Depiction of
4-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)pyrimidine
4-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)pyrimidine
Compound characteristics
| Compound ID: | D396-0047 |
| Compound Name: | 4-methyl-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)pyrimidine |
| Molecular Weight: | 382.49 |
| Molecular Formula: | C19 H22 N6 O S |
| Smiles: | Cc1cc(nc(n1)n1cnc(n1)SCCOc1ccccc1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0546 |
| logD: | 3.9837 |
| logSw: | -4.0184 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.633 |
| InChI Key: | CKKKEAWQPXPBAA-UHFFFAOYSA-N |