7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-phenylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-phenylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-phenylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0017 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-phenylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 437.93 |
| Molecular Formula: | C23 H24 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(NCCCc3ccccc3)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3334 |
| logD: | 5.3333 |
| logSw: | -5.7552 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.688 |
| InChI Key: | FQNRHODXIIAOFX-UHFFFAOYSA-N |