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N-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide

Formula:C29H21N3O3BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide is not a drug-like molecule.
MolNameN-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
MolecularFormulaC29H21N3O3BrClS
SmilesO=C(CNC(c(sc1c2cccc1)c2Cl)=O)N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1
InChIInChI=1S/C29H21BrClN3O3S/c30-20-8-5-6-18(14-20)17-37-24-13-12-19-7-1-2-9-21(19)23(24)15-33-34-26(35)16-32-29(36)28-27(31)22-10-3-4-11-25(22)38-28/h1-15H,16-17H2,(H,32,36)(H,34,35)
InChIKPGIFYUGXYCWKRK-UHFFFAOYSA-N
TotalMolweight606.927
Molweight606.927
MonoisotopicMass605.01755
CLogP7.0802
CLogS-9.354
H Acceptors6
H Donors2
TotalSurfaceArea412.67
Relative PSA0.2202
PolarSurfaceArea108.03
Druglikeness4.5195
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms3
Amides1
StereoCon

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