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

Formula:C23H13N3O4ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(4-chlorophenyl)sulfonyl-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-chlorophenyl)sulfonyl-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
MolecularFormula	C23H13N3O4ClFS
Smiles	N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1F
InChI	InChI=1S/C23H13ClFN3O4S/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	WCCFSIRPISUOKB-UHFFFAOYSA-N
TotalMolweight	481.89
Molweight	481.89
MonoisotopicMass	481.029932
CLogP	2.9757
CLogS	-7.072
H Acceptors	7
TotalSurfaceArea	339.73
Relative PSA	0.23619
PolarSurfaceArea	108.21
Druglikeness	-1.2746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
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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