7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4100-3812 |
| Compound Name: | 7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C21 H24 N6 O5 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1314 |
| logD: | -0.0602 |
| logSw: | -1.6906 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.009 |
| InChI Key: | HMEJVEJQLUSXEB-UHFFFAOYSA-N |