3-(4-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5426 |
| Compound Name: | 3-(4-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 470.96 |
| Molecular Formula: | C27 H23 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cn2cnc3c2C(N(CCc2ccccc2)C(N3c2ccc(cc2)[Cl])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3482 |
| logD: | 5.3482 |
| logSw: | -5.7785 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.253 |
| InChI Key: | ULEGMVCNBSSHTM-UHFFFAOYSA-N |