1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5228-0287 |
| Compound Name: | 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C21 H27 N5 O3 S |
| Smiles: | Cc1cccc(Cn2c3C(N(C)C(N(C)c3nc2SCCN2CCOCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9898 |
| logD: | 2.516 |
| logSw: | -2.9834 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.906 |
| InChI Key: | XETCHCFNSHJOOK-UHFFFAOYSA-N |