4-(azepan-1-yl)-N-methyl-6-{3-[(2-phenoxyethyl)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-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazin-2-amine
4-(azepan-1-yl)-N-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0115 |
| Compound Name: | 4-(azepan-1-yl)-N-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazin-2-amine |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C20 H26 N8 O S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCCOc1ccccc1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9478 |
| logD: | 4.9473 |
| logSw: | -4.4849 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.341 |
| InChI Key: | LUCLQWHDSBIPRZ-UHFFFAOYSA-N |