N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Formula:C20H21N3O4F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is a drug-like molecule.

MolNameN-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
MolecularFormulaC20H21N3O4F2S
SmilesO=C(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c(ccc(F)c1)c1F
InChIInChI=1S/C20H21F2N3O4S/c21-17-5-4-16(19(22)13-17)14-23-24-20(26)8-3-15-1-6-18(7-2-15)30(27,28)25-9-11-29-12-10-25/h1-2,4-7,13-14H,3,8-12H2,(H,24,26)
InChIKOZWWUVIAKZJSCP-UHFFFAOYSA-N
TotalMolweight437.466
Molweight437.466
MonoisotopicMass437.122083
CLogP2.8985
CLogS-3.79
H Acceptors7
H Donors1
TotalSurfaceArea317.63
Relative PSA0.24601
PolarSurfaceArea96.45
Druglikeness3.2772
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms30
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms5
Amides1
StereoCon

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