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(14Z)-11-(2,4-dichlorophenyl)-14-[(2-phenylmethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C34H24N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (14Z)-11-(2,4-dichlorophenyl)-14-[(2-phenylmethoxyphenyl)methylidene]-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(14Z)-11-(2,4-dichlorophenyl)-14-[(2-phenylmethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC34H24N2O2Cl2S
SmilesO=C(/C(/S1)=C/c(cccc2)c2OCc2ccccc2)N2C1=NC(c1c(CC3)cccc1)=C3C2c(ccc(Cl)c1)c1Cl
InChIInChI=1S/C34H24Cl2N2O2S/c35-24-15-17-26(28(36)19-24)32-27-16-14-22-10-4-6-12-25(22)31(27)37-34-38(32)33(39)30(41-34)18-23-11-5-7-13-29(23)40-20-21-8-2-1-3-9-21/h1-13,15,17-19,32H,14,16,20H2/t32-/m1/s1
InChIKDUNWJYHLUPULJI-JGCGQSQUSA-N
TotalMolweight595.549
Molweight595.549
MonoisotopicMass594.093552
CLogP8.3675
CLogS-8.919
H Acceptors4
TotalSurfaceArea422.8
Relative PSA0.13148
PolarSurfaceArea67.2
Druglikeness2.9234
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.43902
Fragments1
Non HAtoms41
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms2
Amides1
StereoConracemate

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