7-[(3-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0395 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.94 |
| Molecular Formula: | C21 H27 Cl N6 O2 |
| Smiles: | CCN1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.556 |
| logD: | 1.4452 |
| logSw: | -3.1358 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.95 |
| InChI Key: | DOSVTZUPCMZENQ-UHFFFAOYSA-N |