8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-ethyl-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-ethyl-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-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-4828 |
| Compound Name: | 8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C18 H25 N9 O2 S |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1SCc1nc(N)nc(n1)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8737 |
| logD: | 2.8726 |
| logSw: | -2.9844 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.713 |
| InChI Key: | SMKOFGXMPGXZIR-UHFFFAOYSA-N |