8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(4-tert-butylphenyl)methyl]-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-[(4-tert-butylphenyl)methyl]-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-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-8750 |
| Compound Name: | 8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 551.67 |
| Molecular Formula: | C26 H33 N9 O3 S |
| Smiles: | CC(C)(C)c1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCc2nc(N)nc(n2)N2CCOCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6736 |
| logD: | 4.6735 |
| logSw: | -4.4399 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.626 |
| InChI Key: | GUZAPFQMHYGNPB-UHFFFAOYSA-N |