N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D441-0038 |
| Compound Name: | N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C20 H26 N8 O S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCCOc1ccccc1C)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.038 |
| logD: | 5.0377 |
| logSw: | -4.6784 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.938 |
| InChI Key: | CINHIWBUCVCDNR-UHFFFAOYSA-N |