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

Formula:C20H14N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-hydroxy-N-[(Z)-(4-oxo-2-pyrimidin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is a drug-like molecule.

MolName	2-hydroxy-N-[(Z)-(4-oxo-2-pyrimidin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
MolecularFormula	C20H14N6O3S
Smiles	Oc(cccc1)c1C(N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1ncccn1)=O
InChI	InChI=1S/C20H14N6O3S/c27-15-7-2-1-6-13(15)17(28)25-23-12-14-18(30-20-21-9-5-10-22-20)24-16-8-3-4-11-26(16)19(14)29/h1-12,27H,(H,25,28)
InChIK	LLFNVUSXMGNNAH-UHFFFAOYSA-N
TotalMolweight	418.436
Molweight	418.436
MonoisotopicMass	418.084809
CLogP	0.9978
CLogS	-3.569
H Acceptors	9
H Donors	2
TotalSurfaceArea	308.29
Relative PSA	0.37835
PolarSurfaceArea	145.44
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	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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