3-(4-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-7690 |
| Compound Name: | 3-(4-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C22 H27 Cl N4 O3 |
| Smiles: | CC(C)CCN1C(c2c(ncn2CC(C(C)(C)C)=O)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.05 |
| logD: | 4.05 |
| logSw: | -4.347 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.043 |
| InChI Key: | YFCBVPQICCCHCS-UHFFFAOYSA-N |