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

Formula:C20H21N3O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is a drug-like molecule.

MolNameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
MolecularFormulaC20H21N3O4Cl2S
SmilesO=C(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c(cc1)cc(Cl)c1Cl
InChIInChI=1S/C20H21Cl2N3O4S/c21-18-7-3-16(13-19(18)22)14-23-24-20(26)8-4-15-1-5-17(6-2-15)30(27,28)25-9-11-29-12-10-25/h1-3,5-7,13-14H,4,8-12H2,(H,24,26)
InChIKZLFYEFBGLFIEDO-UHFFFAOYSA-N
TotalMolweight470.376
Molweight470.376
MonoisotopicMass469.062981
CLogP3.9089
CLogS-4.634
H Acceptors7
H Donors1
TotalSurfaceArea335.77
Relative PSA0.23272
PolarSurfaceArea96.45
Druglikeness4.8952
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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