(E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide

Formula:C23H15N4O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormula	C23H15N4O4F
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1F
InChI	InChI=1S/C23H15FN4O4/c24-18-7-1-2-8-19(18)32-22-17(23(30)28-10-4-3-9-20(28)27-22)12-15(13-25)21(29)26-14-16-6-5-11-31-16/h1-12H,14H2,(H,26,29)
InChIK	GDYSGIGNNJDPBD-UHFFFAOYSA-N
TotalMolweight	430.394
Molweight	430.394
MonoisotopicMass	430.107734
CLogP	1.8466
CLogS	-5.361
H Acceptors	8
H Donors	1
TotalSurfaceArea	328.39
Relative PSA	0.27489
PolarSurfaceArea	107.93
Druglikeness	-1.326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	2
BasicNitrogens	1
StereoCon

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1 - (E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide

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