1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3951-0288 |
| Compound Name: | 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C20 H16 Cl2 N4 O3 |
| Smiles: | CN1C(N(Cc2ccc(cc2[Cl])[Cl])C(c2c1nc(n2C)Oc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7834 |
| logD: | 4.7834 |
| logSw: | -4.9498 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | BVXRWDBJXQWQDZ-UHFFFAOYSA-N |