N-methyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
N-methyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
N-methyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D441-0002 |
| Compound Name: | N-methyl-4-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C18 H22 N8 O S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCCOc1ccccc1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1194 |
| logD: | 4.1185 |
| logSw: | -4.0409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.376 |
| InChI Key: | JDOCPPRUDFVASH-UHFFFAOYSA-N |