N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide

Formula:C18H14N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide is a drug-like molecule.

MolName	N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide
MolecularFormula	C18H14N5O2ClS
Smiles	O=C(CN(C1=O)N=C2N1c(cccc1)c1SC2)N/N=C\c(cc1)ccc1Cl
InChI	InChI=1S/C18H14ClN5O2S/c19-13-7-5-12(6-8-13)9-20-21-17(25)10-23-18(26)24-14-3-1-2-4-15(14)27-11-16(24)22-23/h1-9H,10-11H2,(H,21,25)
InChIK	ATCMWPAVFIBPQD-UHFFFAOYSA-N
TotalMolweight	399.861
Molweight	399.861
MonoisotopicMass	399.055672
CLogP	2.2862
CLogS	-5.809
H Acceptors	7
H Donors	1
TotalSurfaceArea	281.74
Relative PSA	0.30223
PolarSurfaceArea	102.67
Druglikeness	7.1751
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(1-oxo-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-2-yl)acetamide

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