8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0558 |
| Compound Name: | 8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 488.33 |
| Molecular Formula: | C22 H19 Cl2 N5 O4 |
| Smiles: | CN1C(c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2c(cccc2[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6723 |
| logD: | 4.6719 |
| logSw: | -4.8677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.962 |
| InChI Key: | HEAHETBZISRQSM-UHFFFAOYSA-N |