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(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione

Formula:C32H22N4O4Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
MolecularFormulaC32H22N4O4Cl2S2
SmilesO/C(/c1ccncc1)=C(\C(c1cc(OCc2ccccc2)ccc1)N(C1=O)c2nnc(SCc(ccc(Cl)c3)c3Cl)s2)/C1=O
InChIInChI=1S/C32H22Cl2N4O4S2/c33-23-10-9-22(25(34)16-23)18-43-32-37-36-31(44-32)38-27(26(29(40)30(38)41)28(39)20-11-13-35-14-12-20)21-7-4-8-24(15-21)42-17-19-5-2-1-3-6-19/h1-16,27,39H,17-18H2/t27-/m1/s1
InChIKMIMAFJTXMZEKOU-HHHXNRCGSA-N
TotalMolweight661.589
Molweight661.589
MonoisotopicMass660.04595
CLogP6.2926
CLogS-8.219
H Acceptors8
H Donors1
TotalSurfaceArea464.44
Relative PSA0.26589
PolarSurfaceArea159.05
Druglikeness1.0931
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.47727
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms29
Sp3Atoms6
Symmetricatoms4
Amides1
Aromatic Nitrogens3
StereoConracemate

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