Menu

(E)-2-cyano-N-[4-[4-[[(E)-2-cyano-3-(3,4-difluorophenyl)prop-2-enoyl]amino]phenyl]sulfonylphenyl]-3-(3,4-difluorophenyl)prop-2-enamide

Formula:C32H18N4O4F4S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-[4-[4-[[(E)-2-cyano-3-(3,4-difluorophenyl)prop-2-enoyl]amino]phenyl]sulfonylphenyl]-3-(3,4-difluorophenyl)prop-2-enamide is not a drug-like molecule.
MolName(E)-2-cyano-N-[4-[4-[[(E)-2-cyano-3-(3,4-difluorophenyl)prop-2-enoyl]amino]phenyl]sulfonylphenyl]-3-(3,4-difluorophenyl)prop-2-enamide
MolecularFormulaC32H18N4O4F4S
SmilesN#C/C(/C(Nc(cc1)ccc1S(c(cc1)ccc1NC(/C(/C#N)=C/c(cc1)cc(F)c1F)=O)(=O)=O)=O)=C\c(cc1)cc(F)c1F
InChIInChI=1S/C32H18F4N4O4S/c33-27-11-1-19(15-29(27)35)13-21(17-37)31(41)39-23-3-7-25(8-4-23)45(43,44)26-9-5-24(6-10-26)40-32(42)22(18-38)14-20-2-12-28(34)30(36)16-20/h1-16H,(H,39,41)(H,40,42)
InChIKKDVVXGWQOYOZKY-UHFFFAOYSA-N
TotalMolweight630.577
Molweight630.577
MonoisotopicMass630.098488
CLogP5.4254
CLogS-8.716
H Acceptors8
H Donors2
TotalSurfaceArea457.78
Relative PSA0.22871
PolarSurfaceArea148.3
Druglikeness-2.8548
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.6
Fragments1
Non HAtoms45
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms1
Symmetricatoms24
Amides2
StereoCon

Request More Details | (E)-2-cyano-N-[4-[4-[[(E)-2-cyano-3-(3,4-difluorophenyl)prop-2-enoyl]amino]phenyl]sulfonylphenyl]-3-(3,4-difluorophenyl)prop-2-enamide


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