1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y031-7092 |
| Compound Name: | 1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 334.38 |
| Molecular Formula: | C15 H22 N6 O3 |
| Smiles: | CN1CCN(CC1)C(CCn1cnc2c1C(N(C)C(N2C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.0204 |
| logD: | -1.2673 |
| logSw: | -0.5757 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.808 |
| InChI Key: | RJMDEKFQTORUCC-UHFFFAOYSA-N |