7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V025-0255 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.94 |
| Molecular Formula: | C24 H25 Cl N4 O2 |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccccc2[Cl])N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0562 |
| logD: | 5.0562 |
| logSw: | -4.9941 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | KUSYZVFEJPQKJO-UHFFFAOYSA-N |