4-bromo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
Molecular Formula : C18H14N3O4BrS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-bromo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
MolName : 4-bromo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide |
MolecularFormula : C18H14N3O4BrS |
Smiles : NS(c(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2Br)=O)o1)(=O)=O |
InChI : InChI=1S/C18H14BrN3O4S/c19-14-5-1-13(2-6-14)18(23)22-21-11-15-7-10-17(26-15)12-3-8-16(9-4-12)27(20,24)25/h1-11H,(H,22,23)(H2,20,24,25) |
InChIK : OJDDJPFXFWRRGU-UHFFFAOYSA-N |
TotalMolweight : 448.296 |
Molweight : 448.296 |
MonoisotopicMass : 446.988838 |
CLogP : 3.6297 |
CLogS : -5.914 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 292.17 |
Relative PSA : 0.32163 |
PolarSurfaceArea : 123.14 |
Druglikeness : 4.5247 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 1 |
Symmetricatoms : 5 |
Amides : 1 |
StereoCon : |