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

Formula:C23H12N3O4BrCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-(4-bromophenyl)sulfonyl-3-[2-(2,4-dichlorophenoxy)-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-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
MolecularFormula	C23H12N3O4BrCl2S
Smiles	N#C/C(/S(c(cc1)ccc1Br)(=O)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C23H12BrCl2N3O4S/c24-14-4-7-16(8-5-14)34(31,32)17(13-27)12-18-22(33-20-9-6-15(25)11-19(20)26)28-21-3-1-2-10-29(21)23(18)30/h1-12H
InChIK	IOSXXIFARUTNNZ-UHFFFAOYSA-N
TotalMolweight	577.241
Molweight	577.241
MonoisotopicMass	574.910892
CLogP	4.2061
CLogS	-8.328
H Acceptors	7
TotalSurfaceArea	367.43
Relative PSA	0.21838
PolarSurfaceArea	108.21
Druglikeness	-0.80976
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
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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1 - (E)-2-(4-bromophenyl)sulfonyl-3-[2-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile | 2 - (E)-2-(4-bromophenyl)sulfonyl-3-[2-(2,4-dichlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

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