N-methyl-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-methyl-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-methyl-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: | D441-0022 |
| Compound Name: | N-methyl-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: | 412.52 |
| Molecular Formula: | C19 H24 N8 O S |
| Smiles: | Cc1ccccc1OCCSc1ncn(c2nc(NC)nc(n2)N2CCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5587 |
| logD: | 4.5578 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.462 |
| InChI Key: | TZZGBAVOMCSMOM-UHFFFAOYSA-N |