1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7599-0859 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C20 H17 Cl N4 O3 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc(n2C)Oc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0339 |
| logD: | 4.0339 |
| logSw: | -4.3197 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | VQPHDKWUOGBBKF-UHFFFAOYSA-N |