N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide

Formula:C23H15N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide is a drug-like molecule.

MolName	N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
MolecularFormula	C23H15N5O3S2
Smiles	Oc(cccc1)c1C(N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1nc(cccc2)c2s1)=O
InChI	InChI=1S/C23H15N5O3S2/c29-17-9-3-1-7-14(17)20(30)27-24-13-15-21(26-19-11-5-6-12-28(19)22(15)31)33-23-25-16-8-2-4-10-18(16)32-23/h1-13,29H,(H,27,30)
InChIK	NMTVWLABBFZVHX-UHFFFAOYSA-N
TotalMolweight	473.536
Molweight	473.536
MonoisotopicMass	473.06163
CLogP	2.8208
CLogS	-5.64
H Acceptors	8
H Donors	2
TotalSurfaceArea	340.07
Relative PSA	0.3706
PolarSurfaceArea	160.79
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	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide

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