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N-(4-chlorophenyl)-2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C24H21N4O5ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(4-chlorophenyl)-2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
MolNameN-(4-chlorophenyl)-2-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormulaC24H21N4O5ClS
Smiles[O-][N+](c1cccc(/C=N\OCC(Nc2c(C(Nc(cc3)ccc3Cl)=O)c(CCCC3)c3s2)=O)c1)=O
InChIInChI=1S/C24H21ClN4O5S/c25-16-8-10-17(11-9-16)27-23(31)22-19-6-1-2-7-20(19)35-24(22)28-21(30)14-34-26-13-15-4-3-5-18(12-15)29(32)33/h3-5,8-13H,1-2,6-7,14H2,(H,27,31)(H,28,30)
InChIKUURSWKSQWQIFGC-UHFFFAOYSA-N
TotalMolweight512.973
Molweight512.973
MonoisotopicMass512.092118
CLogP5.2549
CLogS-7.553
H Acceptors9
H Donors2
TotalSurfaceArea376.29
Relative PSA0.32233
PolarSurfaceArea153.85
Druglikeness-4.9293
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms7
Symmetricatoms2
Amides2
AcidicOxygens1
StereoCon

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