N~2~-butyl-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~4~-ethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-butyl-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~4~-ethyl-1,3,5-triazine-2,4-diamine
N~2~-butyl-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~4~-ethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0185 |
| Compound Name: | N~2~-butyl-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~4~-ethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 418.95 |
| Molecular Formula: | C18 H23 Cl N8 S |
| Smiles: | CCCCNc1nc(NCC)nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2815 |
| logD: | 5.2807 |
| logSw: | -5.91 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.17 |
| InChI Key: | IGMCOQXTYDENHE-UHFFFAOYSA-N |