(E)-2-cyano-3-[2-(2,4-dichlorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide

Formula:C22H16N4O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[2-(2,4-dichlorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide
MolecularFormula	C22H16N4O3Cl2
Smiles	CC(C1=NC(Oc(ccc(Cl)c2)c2Cl)=C2/C=C(/C(NCC=C)=O)\C#N)=CC=CN1C2=O
InChI	InChI=1S/C22H16Cl2N4O3/c1-3-8-26-20(29)14(12-25)10-16-21(31-18-7-6-15(23)11-17(18)24)27-19-13(2)5-4-9-28(19)22(16)30/h3-7,9-11H,1,8H2,2H3,(H,26,29)
InChIK	SIECKYKKLXZKPH-UHFFFAOYSA-N
TotalMolweight	455.3
Molweight	455.3
MonoisotopicMass	454.059945
CLogP	3.4664
CLogS	-6.147
H Acceptors	7
H Donors	1
TotalSurfaceArea	338.44
Relative PSA	0.22503
PolarSurfaceArea	94.79
Druglikeness	-2.4805
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide | 2 - (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide

Request More Details | (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments