4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-1,3,5-triazin-2-amine
4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0239 |
| Compound Name: | 4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-1,3,5-triazin-2-amine |
| Molecular Weight: | 444.99 |
| Molecular Formula: | C20 H25 Cl N8 S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl])N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.8976 |
| logD: | 5.8973 |
| logSw: | -6.0773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.398 |
| InChI Key: | ZXZYLSLOZCVHDV-UHFFFAOYSA-N |