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

Formula:C26H19N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)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-(2-phenylethyl)prop-2-enamide
MolecularFormula	C26H19N4O3Cl
Smiles	N#C/C(/C(NCCc1ccccc1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1Cl
InChI	InChI=1S/C26H19ClN4O3/c27-21-10-4-5-11-22(21)34-25-20(26(33)31-15-7-6-12-23(31)30-25)16-19(17-28)24(32)29-14-13-18-8-2-1-3-9-18/h1-12,15-16H,13-14H2,(H,29,32)
InChIK	OVLOSKUAQQTRCD-UHFFFAOYSA-N
TotalMolweight	470.915
Molweight	470.915
MonoisotopicMass	470.114568
CLogP	3.5932
CLogS	-6.213
H Acceptors	7
H Donors	1
TotalSurfaceArea	361.53
Relative PSA	0.21066
PolarSurfaceArea	94.79
Druglikeness	0.34662
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	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-(2-phenylethyl)prop-2-enamide | 2 - (E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide

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