7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-1933 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 451.26 |
| Molecular Formula: | C20 H14 Cl2 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(c(c2)[Cl])[Cl])N(C1=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0508 |
| logD: | 4.0508 |
| logSw: | -4.1828 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.97 |
| InChI Key: | JDVMTDSVLJIZDE-UHFFFAOYSA-N |