1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-1264 |
| Compound Name: | 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(N2CCOCC2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3888 |
| logD: | 2.3887 |
| logSw: | -2.5979 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.316 |
| InChI Key: | SRQZCJBMKVMVJF-UHFFFAOYSA-N |