1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | 8014-9168 |
Compound Name: | 1-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 512.41 |
Molecular Formula: | C23 H18 F6 N4 O3 |
Smiles: | Cc1ccc(cc1C)N1C2=C(C(NC1=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(c1)OC)N2 |
Stereo: | ACHIRAL |
logP: | 5.1835 |
logD: | 5.1785 |
logSw: | -5.1653 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.271 |
InChI Key: | XWOIIOUGYNXFDA-UHFFFAOYSA-N |