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

Formula:C23H15N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormula	C23H15N4O4Cl
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1Cl
InChI	InChI=1S/C23H15ClN4O4/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	CZJVHPUPBIETNF-UHFFFAOYSA-N
TotalMolweight	446.849
Molweight	446.849
MonoisotopicMass	446.078183
CLogP	2.3518
CLogS	-5.783
H Acceptors	8
H Donors	1
TotalSurfaceArea	337.46
Relative PSA	0.2675
PolarSurfaceArea	107.93
Druglikeness	0.082727
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
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)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

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