(E)-2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile

Formula:C23H19N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
MolecularFormula	C23H19N5OS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\C1=C(N2CCCCC2)N=C(C=CC=C2)N2C1=O
InChI	InChI=1S/C23H19N5OS/c24-15-16(22-25-18-8-2-3-9-19(18)30-22)14-17-21(27-11-5-1-6-12-27)26-20-10-4-7-13-28(20)23(17)29/h2-4,7-10,13-14H,1,5-6,11-12H2
InChIK	URFDGBUJMVOKBT-UHFFFAOYSA-N
TotalMolweight	413.504
Molweight	413.504
MonoisotopicMass	413.13103
CLogP	2.607
CLogS	-4.801
H Acceptors	6
TotalSurfaceArea	314.52
Relative PSA	0.24335
PolarSurfaceArea	100.83
Druglikeness	-0.56872
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (E)-2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile | 2 - (E)-2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile

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