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(14E)-14-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C32H22N2O2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
MolName(14E)-14-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC32H22N2O2Cl2S2
SmilesO=C(/C(/S1)=C\c(cccc2)c2OCc(ccc(Cl)c2)c2Cl)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C32H22Cl2N2O2S2/c33-22-13-11-21(25(34)17-22)18-38-26-9-4-2-7-20(26)16-28-31(37)36-30(27-10-5-15-39-27)24-14-12-19-6-1-3-8-23(19)29(24)35-32(36)40-28/h1-11,13,15-17,30H,12,14,18H2/t30-/m1/s1
InChIKUOGGUIGFEPBVHD-SSEXGKCCSA-N
TotalMolweight601.577
Molweight601.577
MonoisotopicMass600.049972
CLogP8.2341
CLogS-8.929
H Acceptors4
TotalSurfaceArea418.74
Relative PSA0.18138
PolarSurfaceArea95.44
Druglikeness3.4483
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Amides1
StereoConracemate

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