7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0394 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C24 H24 Cl F N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1ccccc1)n2Cc1c(cccc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5706 |
| logD: | 3.5684 |
| logSw: | -3.9533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.587 |
| InChI Key: | MAHBSVCXHXZMDX-UHFFFAOYSA-N |