methyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0151 |
| Compound Name: | methyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C18 H26 N8 O2 S |
| Smiles: | COC(CSc1ncn(c2nc(nc(n2)N2CCCCC2)N2CCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3314 |
| logD: | 4.3311 |
| logSw: | -4.1037 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.031 |
| InChI Key: | BQYUVASLTOGPHC-UHFFFAOYSA-N |