4-(azepan-1-yl)-N-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(azepan-1-yl)-N-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
4-(azepan-1-yl)-N-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0117 |
| Compound Name: | 4-(azepan-1-yl)-N-methyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C21 H28 N8 O S |
| Smiles: | Cc1ccc(cc1)OCCSc1ncn(c2nc(NC)nc(n2)N2CCCCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3997 |
| logD: | 5.3993 |
| logSw: | -5.3603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.341 |
| InChI Key: | DZRYTVQIAFGANH-UHFFFAOYSA-N |