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(9Z)-9-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione

Formula:C29H18NO3F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (9Z)-9-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione is not a drug-like molecule.
MolName(9Z)-9-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione
MolecularFormulaC29H18NO3F3S2
SmilesO=C(c1c2cccc1)N(Cc(scc1)c1C1=O)C2S/C1=C\c1cc(Oc2cc(C(F)(F)F)ccc2)ccc1
InChIInChI=1S/C29H18F3NO3S2/c30-29(31,32)18-6-4-8-20(15-18)36-19-7-3-5-17(13-19)14-24-26(34)23-11-12-37-25(23)16-33-27(35)21-9-1-2-10-22(21)28(33)38-24/h1-15,28H,16H2/t28-/m0/s1
InChIKYIWWXCMDPMHLPE-NDEPHWFRSA-N
TotalMolweight549.592
Molweight549.592
MonoisotopicMass549.068018
CLogP6.5246
CLogS-8.607
H Acceptors4
TotalSurfaceArea375.2
Relative PSA0.2065
PolarSurfaceArea100.15
Druglikeness-2.1561
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44737
Fragments1
Non HAtoms38
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond4
Rings Closures6
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms2
Amides1
StereoConracemate

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