3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0040 |
| Compound Name: | 3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C18 H22 N6 O2 |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2N2CCNCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0629 |
| logD: | -0.4069 |
| logSw: | -2.8167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.572 |
| InChI Key: | NCBQWTNHQFIYCS-UHFFFAOYSA-N |