8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-butyl-1,3-dimethyl-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)-7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-4847 |
| Compound Name: | 8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C20 H29 N9 O2 S |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1SCc1nc(N)nc(n1)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7493 |
| logD: | 3.749 |
| logSw: | -3.6823 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.967 |
| InChI Key: | PGHMRKXLOJJJQN-UHFFFAOYSA-N |