(8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine

Formula:C20H15N3OF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine is a drug-like molecule.

MolName(8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
MolecularFormulaC20H15N3OF2
SmilesNc1nc(/C(/COC2)=C\c(cc3)ccc3F)c2c(-c(cc2)ccc2F)n1
InChIInChI=1S/C20H15F2N3O/c21-15-5-1-12(2-6-15)9-14-10-26-11-17-18(24-20(23)25-19(14)17)13-3-7-16(22)8-4-13/h1-9H,10-11H2,(H2,23,24,25)
InChIKSWXABLOEPGQKLV-UHFFFAOYSA-N
TotalMolweight351.355
Molweight351.355
MonoisotopicMass351.118318
CLogP2.9005
CLogS-5.112
H Acceptors4
H Donors1
TotalSurfaceArea260.25
Relative PSA0.1814
PolarSurfaceArea61.03
Druglikeness-3.8179
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms4
Aromatic Nitrogens2
StereoCon

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