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

Formula:C32H23N4O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-[5-[(2-chlorophenyl)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-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
MolecularFormulaC32H23N4O4ClS2
SmilesO/C(/c1ccncc1)=C(\C(c1cc(OCc2ccccc2)ccc1)N(C1=O)c2nnc(SCc(cccc3)c3Cl)s2)/C1=O
InChIInChI=1S/C32H23ClN4O4S2/c33-25-12-5-4-9-23(25)19-42-32-36-35-31(43-32)37-27(26(29(39)30(37)40)28(38)21-13-15-34-16-14-21)22-10-6-11-24(17-22)41-18-20-7-2-1-3-8-20/h1-17,27,38H,18-19H2/t27-/m1/s1
InChIKCZWYWUIRQURECX-HHHXNRCGSA-N
TotalMolweight627.144
Molweight627.144
MonoisotopicMass626.084923
CLogP5.6866
CLogS-7.483
H Acceptors8
H Donors1
TotalSurfaceArea449.02
Relative PSA0.27502
PolarSurfaceArea159.05
Druglikeness1.0931
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.46512
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms29
Sp3Atoms6
Symmetricatoms4
Amides1
Aromatic Nitrogens3
StereoConracemate

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