4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0355 |
| Compound Name: | 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C19 H23 Cl N8 S |
| Smiles: | CN(C)c1nc(nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl])N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.5426 |
| logD: | 5.5313 |
| logSw: | -5.9973 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.533 |
| InChI Key: | NCKTWYYBEABEIY-UHFFFAOYSA-N |