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(E)-1,4-diphenyl-2-[(Z)-2-phenyl-2-(5,6,7-tribenzoyl-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl)ethenyl]sulfanylbut-2-ene-1,4-dione

Formula:C51H36N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,4-diphenyl-2-[(Z)-2-phenyl-2-(5,6,7-tribenzoyl-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl)ethenyl]sulfanylbut-2-ene-1,4-dione is not a drug-like molecule.
MolName(E)-1,4-diphenyl-2-[(Z)-2-phenyl-2-(5,6,7-tribenzoyl-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl)ethenyl]sulfanylbut-2-ene-1,4-dione
MolecularFormulaC51H36N2O5S
SmilesO=C(/C=C(\C(c1ccccc1)=O)/S/C=C(/c1ccccc1)\N1c2c(C(c3ccccc3)=O)c(C(c3ccccc3)=O)c(C(c3ccccc3)=O)n2CC1)c1ccccc1
InChIInChI=1S/C51H36N2O5S/c54-42(36-21-9-2-10-22-36)33-43(47(55)37-23-11-3-12-24-37)59-34-41(35-19-7-1-8-20-35)52-31-32-53-46(50(58)40-29-17-6-18-30-40)44(48(56)38-25-13-4-14-26-38)45(51(52)53)49(57)39-27-15-5-16-28-39/h1-30,33-34H,31-32H2
InChIKQMKVBAZPHZSXQV-UHFFFAOYSA-N
TotalMolweight788.922
Molweight788.922
MonoisotopicMass788.234493
CLogP9.292
CLogS-12.664
H Acceptors7
TotalSurfaceArea601
Relative PSA0.15493
PolarSurfaceArea118.82
Druglikeness5.4439
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.32203
Fragments1
Non HAtoms59
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond14
Rings Closures8
Small Rings8
Aromatic Rings7
Aromatic Atoms41
Sp3Atoms4
Symmetricatoms12
Aromatic Nitrogens1
StereoCon

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