(E)-2-(benzenesulfonyl)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Formula:C23H14N3O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(benzenesulfonyl)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
MolecularFormula	C23H14N3O4BrS
Smiles	N#C/C(/S(c1ccccc1)(=O)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cc1)ccc1Br
InChI	InChI=1S/C23H14BrN3O4S/c24-16-9-11-17(12-10-16)31-22-20(23(28)27-13-5-4-8-21(27)26-22)14-19(15-25)32(29,30)18-6-2-1-3-7-18/h1-14H
InChIK	UZBCXXQLWVUHDK-UHFFFAOYSA-N
TotalMolweight	508.351
Molweight	508.351
MonoisotopicMass	506.988838
CLogP	2.9941
CLogS	-6.856
H Acceptors	7
TotalSurfaceArea	336.59
Relative PSA	0.23839
PolarSurfaceArea	108.21
Druglikeness	-10.59
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
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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