7-[(3-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V023-9980 |
Compound Name: | 7-[(3-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 444.87 |
Molecular Formula: | C22 H19 Cl F2 N4 O2 |
Salt: | not_available |
Smiles: | CC(C)CN1C(c2c(ncn2Cc2cccc(c2)[Cl])N(C1=O)c1ccc(cc1F)F)=O |
Stereo: | ACHIRAL |
logP: | 4.2996 |
logD: | 4.2996 |
logSw: | -4.4709 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 42.245 |
InChI Key: | KBIHZPBGSJPBNK-UHFFFAOYSA-N |