(Z)-3-[(Z)-(4-bromophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine

Formula:C22H23N5O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-[(Z)-(4-bromophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine is not a drug-like molecule.

MolName	(Z)-3-[(Z)-(4-bromophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine
MolecularFormula	C22H23N5O3BrS
Smiles	[O-][N+](c1cccc(C(N2/N=C\c(cc3)ccc3Br)=CS/C2=N\CC[NH+]2CCOCC2)c1)=O
InChI	InChI=1S/C22H22BrN5O3S/c23-19-6-4-17(5-7-19)15-25-27-21(18-2-1-3-20(14-18)28(29)30)16-32-22(27)24-8-9-26-10-12-31-13-11-26/h1-7,14-16H,8-13H2/p+1
InChIK	JNPDIQZJUBQCIC-UHFFFAOYSA-O
TotalMolweight	517.427
Molweight	517.427
MonoisotopicMass	516.070496
CLogP	2.5036
CLogS	-5.256
H Acceptors	8
H Donors	1
TotalSurfaceArea	365.45
Relative PSA	0.2793
PolarSurfaceArea	112.75
Druglikeness	-4.41
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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1 - (Z)-3-[(Z)-(4-bromophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-(4-bromophenyl)methylideneamino]-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine

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