N-(2-chlorophenyl)-2-[(2E)-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide

Formula:C26H23N6O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-chlorophenyl)-2-[(2E)-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is not a drug-like molecule.

MolName	N-(2-chlorophenyl)-2-[(2E)-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
MolecularFormula	C26H23N6O5ClS2
Smiles	[O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C/c1c(-c2ccccc2)nc(N2CCOCC2)s1)=O
InChI	InChI=1S/C26H23ClN6O5S2/c27-20-8-4-5-9-21(20)31-40(36,37)24-16-19(33(34)35)10-11-22(24)30-28-17-23-25(18-6-2-1-3-7-18)29-26(39-23)32-12-14-38-15-13-32/h1-11,16-17,30-31H,12-15H2
InChIK	WKQHWXDENFKTTR-UHFFFAOYSA-N
TotalMolweight	599.091
Molweight	599.091
MonoisotopicMass	598.085986
CLogP	5.9511
CLogS	-7.402
H Acceptors	11
H Donors	2
TotalSurfaceArea	424.43
Relative PSA	0.32587
PolarSurfaceArea	178.36
Druglikeness	-0.40444
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.45
Fragments	1
Non HAtoms	40
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-(2-chlorophenyl)-2-[(2E)-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide | 2 - N-(2-chlorophenyl)-2-[(2E)-2-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide

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