(E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile

Formula:C23H13N3O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
MolecularFormula	C23H13N3O4Cl2S
Smiles	N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cc1)ccc1Cl
InChI	InChI=1S/C23H13Cl2N3O4S/c24-15-4-8-17(9-5-15)32-22-20(23(29)28-12-2-1-3-21(28)27-22)13-19(14-26)33(30,31)18-10-6-16(25)7-11-18/h1-13H
InChIK	ZABHLCXDKQMPTB-UHFFFAOYSA-N
TotalMolweight	498.345
Molweight	498.345
MonoisotopicMass	497.000381
CLogP	3.4809
CLogS	-7.494
H Acceptors	7
TotalSurfaceArea	348.8
Relative PSA	0.23005
PolarSurfaceArea	108.21
Druglikeness	0.97089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
Amides	1
BasicNitrogens	1
StereoCon

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