3-(2-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-5139 |
| Compound Name: | 3-(2-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 494.93 |
| Molecular Formula: | C25 H23 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(Cn1cnc2c1C(N(CC1CCCO1)C(N2c1ccccc1[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3641 |
| logD: | 2.3641 |
| logSw: | -2.9608 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.419 |
| InChI Key: | CCRZJFXWFBZNCB-GOSISDBHSA-N |