Menu

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

Formula:C31H26N3O3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-[4-[(2-fluorophenyl)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-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC31H26N3O3FS2
SmilesO=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2F)N(CC2OCCC2)C1=S
InChIInChI=1S/C31H26FN3O3S2/c32-27-11-5-4-7-22(27)20-38-25-14-12-21(13-15-25)29-23(18-35(33-29)24-8-2-1-3-9-24)17-28-30(36)34(31(39)40-28)19-26-10-6-16-37-26/h1-5,7-9,11-15,17-18,26H,6,10,16,19-20H2/t26-/m1/s1
InChIKQKCNKXJBIHTPCN-AREMUKBSSA-N
TotalMolweight571.695
Molweight571.695
MonoisotopicMass571.13996
CLogP4.0648
CLogS-6.991
H Acceptors6
TotalSurfaceArea424.11
Relative PSA0.2356
PolarSurfaceArea113.98
Druglikeness3.0388
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms40
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms10
Symmetricatoms4
Amides1
Aromatic Nitrogens2
StereoConracemate

Request More Details | (5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments