(E)-2-(4-bromophenyl)sulfonyl-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Formula:C23H13N3O4BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(4-bromophenyl)sulfonyl-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(4-bromophenyl)sulfonyl-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
MolecularFormula	C23H13N3O4BrClS
Smiles	N#C/C(/S(c(cc1)ccc1Br)(=O)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1Cl
InChI	InChI=1S/C23H13BrClN3O4S/c24-15-8-10-16(11-9-15)33(30,31)17(14-26)13-18-22(32-20-6-2-1-5-19(20)25)27-21-7-3-4-12-28(21)23(18)29/h1-13H
InChIK	ZTPVIAROKAUCPY-UHFFFAOYSA-N
TotalMolweight	542.796
Molweight	542.796
MonoisotopicMass	540.949865
CLogP	3.6001
CLogS	-7.592
H Acceptors	7
TotalSurfaceArea	352.01
Relative PSA	0.22795
PolarSurfaceArea	108.21
Druglikeness	-2.0346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB
Shape Index	0.45455
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	3
Amides	1
BasicNitrogens	1
StereoCon

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