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(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C31H26N3O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC31H26N3O3ClS2
SmilesO=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2Cl)N(CC2OCCC2)C1=S
InChIInChI=1S/C31H26ClN3O3S2/c32-24-12-8-21(9-13-24)20-38-26-14-10-22(11-15-26)29-23(18-35(33-29)25-5-2-1-3-6-25)17-28-30(36)34(31(39)40-28)19-27-7-4-16-37-27/h1-3,5-6,8-15,17-18,27H,4,7,16,19-20H2/t27-/m1/s1
InChIKYFFRHYZWXYNWEI-HHHXNRCGSA-N
TotalMolweight588.15
Molweight588.15
MonoisotopicMass587.110409
CLogP4.57
CLogS-7.413
H Acceptors6
TotalSurfaceArea433.18
Relative PSA0.23067
PolarSurfaceArea113.98
Druglikeness4.4351
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.525
Fragments1
Non HAtoms40
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms10
Symmetricatoms6
Amides1
Aromatic Nitrogens2
StereoConracemate

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