N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide
Molecular Formula : C21H19N4OBrS | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide is a drug-like molecule.
MolName : N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide |
MolecularFormula : C21H19N4OBrS |
Smiles : O=C(c1c(cc(cc2)Br)c2nc(-c2cccs2)c1)N/N=C1/C(CC2)CCN2C1 |
InChI : InChI=1S/C21H19BrN4OS/c22-14-3-4-17-15(10-14)16(11-18(23-17)20-2-1-9-28-20)21(27)25-24-19-12-26-7-5-13(19)6-8-26/h1-4,9-11,13H,5-8,12H2,(H,25,27) |
InChIK : SUWXOTLFRMTSNL-UHFFFAOYSA-N |
TotalMolweight : 455.379 |
Molweight : 455.379 |
MonoisotopicMass : 454.046292 |
CLogP : 4.8449 |
CLogS : -5.711 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 297.73 |
Relative PSA : 0.2381 |
PolarSurfaceArea : 85.83 |
Druglikeness : 7.2461 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.46429 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 5 |
Small Rings : 6 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |
1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide
2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |