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

Formula:C22H22N5O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-[(Z)-(4-bromophenyl)methylideneamino]-N-(2-morpholin-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-ylethyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine
MolecularFormula	C22H22N5O3BrS
Smiles	[O-][N+](c1cccc(C(N2/N=C\c(cc3)ccc3Br)=CS/C2=N\CCN2CCOCC2)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
InChIK	JNPDIQZJUBQCIC-UHFFFAOYSA-N
TotalMolweight	516.419
Molweight	516.419
MonoisotopicMass	515.062671
CLogP	2.372
CLogS	-5.256
H Acceptors	8
TotalSurfaceArea	351.41
Relative PSA	0.25051
PolarSurfaceArea	111.55
Druglikeness	-1.0578
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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