4-[3-(benzylsulfanyl)-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-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D385-0095 |
| Compound Name: | 4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 382.49 |
| Molecular Formula: | C18 H22 N8 S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCc1ccccc1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4744 |
| logD: | 4.4741 |
| logSw: | -4.2055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.433 |
| InChI Key: | WERKQYRRYNFKNV-UHFFFAOYSA-N |