(E)-2-cyano-N-(furan-2-ylmethyl)-3-(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)prop-2-enamide

Formula:C23H16N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(furan-2-ylmethyl)-3-(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(furan-2-ylmethyl)-3-(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)prop-2-enamide
MolecularFormula	C23H16N4O4
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc1ccccc1
InChI	InChI=1S/C23H16N4O4/c24-14-16(21(28)25-15-18-9-6-12-30-18)13-19-22(31-17-7-2-1-3-8-17)26-20-10-4-5-11-27(20)23(19)29/h1-13H,15H2,(H,25,28)
InChIK	NIJOOAHUSWLSHE-UHFFFAOYSA-N
TotalMolweight	412.404
Molweight	412.404
MonoisotopicMass	412.117156
CLogP	1.7458
CLogS	-5.047
H Acceptors	8
H Donors	1
TotalSurfaceArea	322.04
Relative PSA	0.28031
PolarSurfaceArea	107.93
Druglikeness	0.014007
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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