1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0014 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc(NCCc1ccccc1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7631 |
| logD: | 3.7622 |
| logSw: | -4.0147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.732 |
| InChI Key: | GMNKZBTWTZKHLA-UHFFFAOYSA-N |