3-methyl-7-[(3-methylphenyl)methyl]-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(3-methylphenyl)methyl]-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(3-methylphenyl)methyl]-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0038 |
| Compound Name: | 3-methyl-7-[(3-methylphenyl)methyl]-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2N2CCOCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6116 |
| logD: | 2.6116 |
| logSw: | -2.8573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.52 |
| InChI Key: | GHLLSPWQJINCRI-UHFFFAOYSA-N |