8,8-dimethyl-5-(5-nitrofuran-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Chemical Structure Depiction of
8,8-dimethyl-5-(5-nitrofuran-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
8,8-dimethyl-5-(5-nitrofuran-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Compound characteristics
Compound ID: | 8017-0026 |
Compound Name: | 8,8-dimethyl-5-(5-nitrofuran-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione |
Molecular Weight: | 372.34 |
Molecular Formula: | C17 H16 N4 O6 |
Smiles: | CC1(C)CC2=C(C(C3=C(N2)NC(NC3=O)=O)c2ccc([N+]([O-])=O)o2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.9461 |
logD: | -1.2232 |
logSw: | -2.2007 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 114.631 |
InChI Key: | GONFSRLXWBVSEF-LBPRGKRZSA-N |