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N-[(Z)-[2-(difluoromethoxy)phenyl]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:C26H19N3O4F2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[2-(difluoromethoxy)phenyl]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-(difluoromethoxy)phenyl]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
MolecularFormulaC26H19N3O4F2S
SmilesO=C(c1ccc(CN(c2c(c3ccc4)c4ccc2)S3(=O)=O)cc1)N/N=C\c(cccc1)c1OC(F)F
InChIInChI=1S/C26H19F2N3O4S/c27-26(28)35-22-9-2-1-5-20(22)15-29-30-25(32)19-13-11-17(12-14-19)16-31-21-8-3-6-18-7-4-10-23(24(18)21)36(31,33)34/h1-15,26H,16H2,(H,30,32)
InChIKLCFLJSCLNOCRMD-UHFFFAOYSA-N
TotalMolweight507.516
Molweight507.516
MonoisotopicMass507.106433
CLogP4.966
CLogS-7.629
H Acceptors7
H Donors1
TotalSurfaceArea355.69
Relative PSA0.21969
PolarSurfaceArea96.45
Druglikeness-1.5747
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52778
Fragments1
Non HAtoms36
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms4
Symmetricatoms4
Amides1
StereoCon

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