Menu

4-[(5E)-5-[3-[4-(2-nitroanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide

Formula:C26H22N6O8S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5E)-5-[3-[4-(2-nitroanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide is not a drug-like molecule.
MolName4-[(5E)-5-[3-[4-(2-nitroanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide
MolecularFormulaC26H22N6O8S4
Smiles[O-][N+](c(cccc1)c1NC(CCCN(C(/C(/S1)=C(/C(N2CCCC(Nc(cccc3)c3[N+]([O-])=O)=O)=O)\SC2=S)=O)C1=S)=O)=O
InChIInChI=1S/C26H22N6O8S4/c33-19(27-15-7-1-3-9-17(15)31(37)38)11-5-13-29-23(35)21(43-25(29)41)22-24(36)30(26(42)44-22)14-6-12-20(34)28-16-8-2-4-10-18(16)32(39)40/h1-4,7-10H,5-6,11-14H2,(H,27,33)(H,28,34)
InChIKROYJAZSAYUEKER-UHFFFAOYSA-N
TotalMolweight674.759
Molweight674.759
MonoisotopicMass674.038194
CLogP0.4868
CLogS-7.072
H Acceptors14
H Donors2
TotalSurfaceArea473.76
Relative PSA0.49392
PolarSurfaceArea305.24
Druglikeness-1.2748
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.54545
Fragments1
Non HAtoms44
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond12
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms22
Amides4
AcidicOxygens2
StereoCon

Request More Details | 4-[(5E)-5-[3-[4-(2-nitroanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide


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