(E)-N-benzyl-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide

Formula:C25H17N4O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-benzyl-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide
MolecularFormula	C25H17N4O3Br
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cc1)ccc1Br
InChI	InChI=1S/C25H17BrN4O3/c26-19-9-11-20(12-10-19)33-24-21(25(32)30-13-5-4-8-22(30)29-24)14-18(15-27)23(31)28-16-17-6-2-1-3-7-17/h1-14H,16H2,(H,28,31)
InChIK	RYKDYMOHEGGPFG-UHFFFAOYSA-N
TotalMolweight	501.339
Molweight	501.339
MonoisotopicMass	500.048402
CLogP	3.2823
CLogS	-6.199
H Acceptors	7
H Donors	1
TotalSurfaceArea	350.98
Relative PSA	0.21699
PolarSurfaceArea	94.79
Druglikeness	-1.6378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon

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1 - (E)-N-benzyl-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide | 2 - (E)-N-benzyl-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide

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