1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4,7(1H,3H,6H)-trione
Chemical Structure Depiction of
1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4,7(1H,3H,6H)-trione
1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4,7(1H,3H,6H)-trione
Compound characteristics
Compound ID: | 8014-7632 |
Compound Name: | 1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4,7(1H,3H,6H)-trione |
Molecular Weight: | 412.22 |
Molecular Formula: | C14 H7 F7 N4 O3 |
Smiles: | c1ccc(c(c1)N1C2=C(C(NC1=O)=O)C(C(F)(F)F)(C(F)(F)F)NC(N2)=O)F |
Stereo: | ACHIRAL |
logP: | 2.4173 |
logD: | -4.227 |
logSw: | -3.0347 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 75.657 |
InChI Key: | LWXLHBOXVJLIFB-UHFFFAOYSA-N |