1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8018-1496 |
| Compound Name: | 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | Cc1ccc(cc1)C(Cn1c2C(N(C)C(N(C)c2nc1N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1173 |
| logD: | 3.1172 |
| logSw: | -3.1033 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.31 |
| InChI Key: | LLRDOIRIDJZKPU-UHFFFAOYSA-N |