8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-2382 |
| Compound Name: | 8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 561.59 |
| Molecular Formula: | C24 H26 F3 N9 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)SCc2nc(N)nc(n2)N2CCCCC2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7946 |
| logD: | 4.7945 |
| logSw: | -4.6814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.717 |
| InChI Key: | WRCZNOAMPBLCNS-UHFFFAOYSA-N |