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(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Formula:C32H30N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormulaC32H30N2O4S
SmilesCC(C1)Oc(cc2)c1cc2/C(/O)=C(/C(c1ccc(C(C)(C)C)cc1)N(C1=O)c2nc(ccc(C)c3)c3s2)\C1=O
InChIInChI=1S/C32H30N2O4S/c1-17-6-12-23-25(14-17)39-31(33-23)34-27(19-7-10-22(11-8-19)32(3,4)5)26(29(36)30(34)37)28(35)20-9-13-24-21(16-20)15-18(2)38-24/h6-14,16,18,27,35H,15H2,1-5H3
InChIKDPJQGHMCRVQFKD-UHFFFAOYSA-N
TotalMolweight538.666
Molweight538.666
MonoisotopicMass538.192628
CLogP6.713
CLogS-7.209
H Acceptors6
H Donors1
TotalSurfaceArea390.62
Relative PSA0.2152
PolarSurfaceArea107.97
Druglikeness-2.3408
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41026
Fragments1
Non HAtoms39
NonCHAtoms7
Electronegative Atoms7
StereoCenters2
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms11
Symmetricatoms4
Amides1
Aromatic Nitrogens1
StereoConunknown chirality

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