8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-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)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-5450 |
| Compound Name: | 8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 509.59 |
| Molecular Formula: | C23 H27 N9 O3 S |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCc1nc(N)nc(n1)N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6354 |
| logD: | 3.6352 |
| logSw: | -3.7214 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.626 |
| InChI Key: | POSMYYVDRVKUJM-UHFFFAOYSA-N |