Menu

N-[5-[2-oxo-2-[(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Formula:C21H14N5O4F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[5-[2-oxo-2-[(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is a drug-like molecule.
MolNameN-[5-[2-oxo-2-[(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
MolecularFormulaC21H14N5O4F3S
SmilesO=C(Cc1nnc(NC(c2ccco2)=O)s1)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChIInChI=1S/C21H14F3N5O4S/c22-21(23,24)13-4-1-3-12(9-13)15-7-6-14(33-15)11-25-27-17(30)10-18-28-29-20(34-18)26-19(31)16-5-2-8-32-16/h1-9,11H,10H2,(H,27,30)(H,26,29,31)
InChIKPKTXYLAPXGHLCV-UHFFFAOYSA-N
TotalMolweight489.433
Molweight489.433
MonoisotopicMass489.071859
CLogP4.1661
CLogS-6.325
H Acceptors9
H Donors2
TotalSurfaceArea351.78
Relative PSA0.37248
PolarSurfaceArea150.86
Druglikeness1.0846
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61765
Fragments1
Non HAtoms34
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

Request More Details | N-[5-[2-oxo-2-[(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide


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