7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-6962 |
| Compound Name: | 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C25 H23 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC2CCCO2)C(c2c1ncn2CC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9161 |
| logD: | 2.9161 |
| logSw: | -3.465 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.875 |
| InChI Key: | NXNNACUDYJJYKZ-LJQANCHMSA-N |