1-[(Z)-pyridin-3-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
Formula:C20H14N6O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-pyridin-3-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 1-[(Z)-pyridin-3-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C20H14N6O2S2 |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c2cnccc2)c1S(c1cccs1)(=O)=O |
| InChI | InChI=1S/C20H14N6O2S2/c21-19-18(30(27,28)16-8-4-10-29-16)17-20(25-15-7-2-1-6-14(15)24-17)26(19)23-12-13-5-3-9-22-11-13/h1-12H,21H2 |
| InChIK | JJSIRRNDZMMPAR-UHFFFAOYSA-N |
| TotalMolweight | 434.503 |
| Molweight | 434.503 |
| MonoisotopicMass | 434.061964 |
| CLogP | 2.7083 |
| CLogS | -7.69 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 305.26 |
| Relative PSA | 0.37837 |
| PolarSurfaceArea | 152.74 |
| Druglikeness | 4.5364 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-pyridin-3-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine | 2 - 1-[(Z)-pyridin-3-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off