7-[(2,4-dichlorophenyl)methyl]-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,4-dichlorophenyl)methyl]-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-dichlorophenyl)methyl]-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0421 |
| Compound Name: | 7-[(2,4-dichlorophenyl)methyl]-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 481.38 |
| Molecular Formula: | C21 H26 Cl2 N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)CCO)n2Cc2ccc(cc2[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4686 |
| logD: | 2.0905 |
| logSw: | -2.9948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.859 |
| InChI Key: | NWKKJPDVIRHXDP-UHFFFAOYSA-N |