2-hydroxy-N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide

Formula:C22H16N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-hydroxy-N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is a drug-like molecule.

MolName	2-hydroxy-N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
MolecularFormula	C22H16N4O3S
Smiles	Oc(cccc1)c1C(N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1ccccc1)=O
InChI	InChI=1S/C22H16N4O3S/c27-18-11-5-4-10-16(18)20(28)25-23-14-17-21(30-15-8-2-1-3-9-15)24-19-12-6-7-13-26(19)22(17)29/h1-14,27H,(H,25,28)
InChIK	DLMODYRGKAMQSH-UHFFFAOYSA-N
TotalMolweight	416.46
Molweight	416.46
MonoisotopicMass	416.094311
CLogP	2.3189
CLogS	-4.804
H Acceptors	7
H Donors	2
TotalSurfaceArea	310.77
Relative PSA	0.30473
PolarSurfaceArea	119.66
Druglikeness	6.7215
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon

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