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

Formula:C27H21N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is a drug-like molecule.

MolName	4-[(Z)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
MolecularFormula	C27H21N5O2S
Smiles	N#Cc1ccc(/C=N\N(C(c(cc2)cc(N3)c2OCC3=O)=CS2)/C2=N/CCc2ccccc2)cc1
InChI	InChI=1S/C27H21N5O2S/c28-15-20-6-8-21(9-7-20)16-30-32-24(22-10-11-25-23(14-22)31-26(33)17-34-25)18-35-27(32)29-13-12-19-4-2-1-3-5-19/h1-11,14,16,18H,12-13,17H2,(H,31,33)
InChIK	KGRHIRTZYGCEFP-UHFFFAOYSA-N
TotalMolweight	479.563
Molweight	479.563
MonoisotopicMass	479.141595
CLogP	4.5961
CLogS	-6.886
H Acceptors	7
H Donors	1
TotalSurfaceArea	368.21
Relative PSA	0.25018
PolarSurfaceArea	115.38
Druglikeness	1.0103
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	1
BasicNitrogens	1
StereoCon

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

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