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(14E)-14-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-(4-chlorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C34H22N2O2BrCl3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-(4-chlorophenyl)-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-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-(4-chlorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC34H22N2O2BrCl3S
SmilesO=C(/C(/S1)=C\c(cc2)cc(Br)c2OCc(ccc(Cl)c2)c2Cl)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1Cl
InChIInChI=1S/C34H22BrCl3N2O2S/c35-27-15-19(5-14-29(27)42-18-22-8-12-24(37)17-28(22)38)16-30-33(41)40-32(21-6-10-23(36)11-7-21)26-13-9-20-3-1-2-4-25(20)31(26)39-34(40)43-30/h1-8,10-12,14-17,32H,9,13,18H2/t32-/m1/s1
InChIKFYNJFSCDVJMCRG-JGCGQSQUSA-N
TotalMolweight708.89
Molweight708.89
MonoisotopicMass705.96509
CLogP9.6987
CLogS-10.489
H Acceptors4
TotalSurfaceArea456.85
Relative PSA0.12168
PolarSurfaceArea67.2
Druglikeness1.1334
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.48837
Fragments1
Non HAtoms43
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms2
Amides1
StereoConracemate

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