4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(pyrrolidin-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-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0221 |
| Compound Name: | 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C18 H21 Cl N8 S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl])N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0691 |
| logD: | 5.0688 |
| logSw: | -5.1954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.433 |
| InChI Key: | TXKODZSHEAONHU-UHFFFAOYSA-N |