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N-[4-[[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]carbamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C28H22N3O3F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]carbamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
MolNameN-[4-[[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]carbamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormulaC28H22N3O3F3S
SmilesO=C(c1csc2c1CCCC2)Nc(cc1)ccc1C(N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1)=O
InChIInChI=1S/C28H22F3N3O3S/c29-28(30,31)19-5-3-4-18(14-19)24-13-12-21(37-24)15-32-34-26(35)17-8-10-20(11-9-17)33-27(36)23-16-38-25-7-2-1-6-22(23)25/h3-5,8-16H,1-2,6-7H2,(H,33,36)(H,34,35)
InChIKUFPOOMGDBSJJJX-UHFFFAOYSA-N
TotalMolweight537.561
Molweight537.561
MonoisotopicMass537.133396
CLogP7.1597
CLogS-8.573
H Acceptors6
H Donors2
TotalSurfaceArea392.35
Relative PSA0.24208
PolarSurfaceArea111.94
Druglikeness-3.4618
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.60526
Fragments1
Non HAtoms38
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms5
Symmetricatoms4
Amides1
StereoCon

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