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

Formula:C22H17N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
MolecularFormula	C22H17N5O2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\C1=C(N2CCOCC2)N=C(C=CC=C2)N2C1=O
InChI	InChI=1S/C22H17N5O2S/c23-14-15(21-24-17-5-1-2-6-18(17)30-21)13-16-20(26-9-11-29-12-10-26)25-19-7-3-4-8-27(19)22(16)28/h1-8,13H,9-12H2
InChIK	DHYDOHAZUPSZMP-UHFFFAOYSA-N
TotalMolweight	415.476
Molweight	415.476
MonoisotopicMass	415.110295
CLogP	1.443
CLogS	-3.912
H Acceptors	7
TotalSurfaceArea	310.76
Relative PSA	0.27848
PolarSurfaceArea	110.06
Druglikeness	0.35821
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
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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