4-[(Z)-[2-(2,4-difluorophenyl)imino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile

Formula:C25H15N5O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[2-(2,4-difluorophenyl)imino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is a drug-like molecule.

MolName	4-[(Z)-[2-(2,4-difluorophenyl)imino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
MolecularFormula	C25H15N5O2F2S
Smiles	N#Cc1ccc(/C=N\N(C(c(cc2)cc(N3)c2OCC3=O)=CS2)/C2=N/c(ccc(F)c2)c2F)cc1
InChI	InChI=1S/C25H15F2N5O2S/c26-18-6-7-20(19(27)10-18)31-25-32(29-12-16-3-1-15(11-28)2-4-16)22(14-35-25)17-5-8-23-21(9-17)30-24(33)13-34-23/h1-10,12,14H,13H2,(H,30,33)
InChIK	VFAAEBXRISYVSY-UHFFFAOYSA-N
TotalMolweight	487.489
Molweight	487.489
MonoisotopicMass	487.091451
CLogP	4.2636
CLogS	-7.241
H Acceptors	7
H Donors	1
TotalSurfaceArea	353.39
Relative PSA	0.26068
PolarSurfaceArea	115.38
Druglikeness	-1.0354
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - 4-[(Z)-[2-(2,4-difluorophenyl)imino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile | 2 - 4-[(Z)-[2-(2,4-difluorophenyl)imino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile

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