7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-5664 |
| Compound Name: | 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C24 H31 N5 O6 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(N2CCOCC2)=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.0296 |
| logD: | 2.0296 |
| logSw: | -2.713 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.736 |
| InChI Key: | KNWYTGWFFMKLTI-UHFFFAOYSA-N |