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N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide

Formula:C25H18N3O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide is not a drug-like molecule.
MolNameN-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide
MolecularFormulaC25H18N3O3BrS
SmilesO=C(c1ccc(CN(c2cccc3cccc4c23)S4(=O)=O)cc1)N/N=C\c(cccc1)c1Br
InChIInChI=1S/C25H18BrN3O3S/c26-21-8-2-1-5-20(21)15-27-28-25(30)19-13-11-17(12-14-19)16-29-22-9-3-6-18-7-4-10-23(24(18)22)33(29,31)32/h1-15H,16H2,(H,28,30)
InChIKXCLJXRJSVKNQKC-UHFFFAOYSA-N
TotalMolweight520.406
Molweight520.406
MonoisotopicMass519.025223
CLogP5.5218
CLogS-7.841
H Acceptors6
H Donors1
TotalSurfaceArea339.12
Relative PSA0.20093
PolarSurfaceArea87.22
Druglikeness-2.7186
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.54545
Fragments1
Non HAtoms33
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms3
Amides1
StereoCon

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