3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide

Formula:C28H22N3O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide is not a drug-like molecule.

MolName3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide
MolecularFormulaC28H22N3O4ClS
SmilesO=C(c1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1)N/N=C(/C1)\c(cccc2)c2OC1c1ccccc1
InChIInChI=1S/C28H22ClN3O4S/c29-21-13-15-22(16-14-21)32-37(34,35)23-10-6-9-20(17-23)28(33)31-30-25-18-27(19-7-2-1-3-8-19)36-26-12-5-4-11-24(25)26/h1-17,27,32H,18H2,(H,31,33)/t27-/m1/s1
InChIKDITRLUBKNBYJPL-HHHXNRCGSA-N
TotalMolweight532.019
Molweight532.019
MonoisotopicMass531.101954
CLogP5.7066
CLogS-7.378
H Acceptors7
H Donors2
TotalSurfaceArea382.94
Relative PSA0.22471
PolarSurfaceArea105.24
Druglikeness2.9048
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.54054
Fragments1
Non HAtoms37
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms5
Amides1
StereoConracemate

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