8-({[4-amino-6-(morpholin-4-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-(morpholin-4-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-(morpholin-4-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: | 8012-5345 |
| Compound Name: | 8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C19 H27 N9 O3 S |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1SCc1nc(N)nc(n1)N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5906 |
| logD: | 2.5903 |
| logSw: | -2.5933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.876 |
| InChI Key: | HXWJCEZLMNFLAC-UHFFFAOYSA-N |