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N-[(Z)-(3,4-dichlorophenyl)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:C25H17N3O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(3,4-dichlorophenyl)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)-(3,4-dichlorophenyl)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
MolecularFormulaC25H17N3O3Cl2S
SmilesO=C(c1ccc(CN(c2cccc3cccc4c23)S4(=O)=O)cc1)N/N=C\c(cc1)cc(Cl)c1Cl
InChIInChI=1S/C25H17Cl2N3O3S/c26-20-12-9-17(13-21(20)27)14-28-29-25(31)19-10-7-16(8-11-19)15-30-22-5-1-3-18-4-2-6-23(24(18)22)34(30,32)33/h1-14H,15H2,(H,29,31)
InChIKGADWFMZJVQHADG-UHFFFAOYSA-N
TotalMolweight510.4
Molweight510.4
MonoisotopicMass509.036766
CLogP6.0086
CLogS-8.479
H Acceptors6
H Donors1
TotalSurfaceArea351.33
Relative PSA0.19395
PolarSurfaceArea87.22
Druglikeness1.1376
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55882
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms3
Amides1
StereoCon

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