8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-3519 |
| Compound Name: | 8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 501.37 |
| Molecular Formula: | C24 H22 Cl2 N4 O4 |
| Smiles: | CCCC(c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9728 |
| logD: | 5.9728 |
| logSw: | -6.2456 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63 |
| InChI Key: | GEPQHDIFKLTLBP-UHFFFAOYSA-N |