Menu

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

Formula:C30H24N3O4ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-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-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC30H24N3O4ClS3
SmilesO=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2Cl)N(C(CC2)CS2(=O)=O)C1=S
InChIInChI=1S/C30H24ClN3O4S3/c31-23-10-6-20(7-11-23)18-38-26-12-8-21(9-13-26)28-22(17-33(32-28)24-4-2-1-3-5-24)16-27-29(35)34(30(39)40-27)25-14-15-41(36,37)19-25/h1-13,16-17,25H,14-15,18-19H2/t25-/m0/s1
InChIKYRSPOGJCNFDKPO-VWLOTQADSA-N
TotalMolweight622.189
Molweight622.189
MonoisotopicMass621.061744
CLogP3.6339
CLogS-7.272
H Acceptors7
TotalSurfaceArea438
Relative PSA0.27055
PolarSurfaceArea147.27
Druglikeness4.1282
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5122
Fragments1
Non HAtoms41
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond7
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms9
Symmetricatoms7
Amides1
Aromatic Nitrogens2
StereoConracemate

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


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