4-[5-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
Molecular Formula : C19H12N5O3BrS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-[5-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.
MolName : 4-[5-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide |
MolecularFormula : C19H12N5O3BrS |
Smiles : NS(c(cc1)ccc1-c1ccc(/C=C(/c([nH]c2c3)nc2ncc3Br)\C#N)o1)(=O)=O |
InChI : InChI=1S/C19H12BrN5O3S/c20-13-8-16-19(23-10-13)25-18(24-16)12(9-21)7-14-3-6-17(28-14)11-1-4-15(5-2-11)29(22,26)27/h1-8,10H,(H2,22,26,27)(H,23,24,25) |
InChIK : VKXIXBOXJRAMNQ-UHFFFAOYSA-N |
TotalMolweight : 470.306 |
Molweight : 470.306 |
MonoisotopicMass : 468.984421 |
CLogP : 2.5318 |
CLogS : -5.367 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 306.31 |
Relative PSA : 0.35079 |
PolarSurfaceArea : 147.04 |
Druglikeness : -2.314 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.58621 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 4 |
Aromatic Atoms : 20 |
Sp3Atoms : 1 |
Symmetricatoms : 3 |
Amides : 1 |
Aromatic Nitrogens : 3 |
BasicNitrogens : 1 |
StereoCon : |
1 - 4-[5-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
2 - 4-[5-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |