3-(benzenesulfonyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Formula:C22H16N6O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C22H16N6O2S |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c2ccncc2)c1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C22H16N6O2S/c23-21-20(31(29,30)16-6-2-1-3-7-16)19-22(27-18-9-5-4-8-17(18)26-19)28(21)25-14-15-10-12-24-13-11-15/h1-14H,23H2 |
| InChIK | GJOBTCDJMJLSMU-UHFFFAOYSA-N |
| TotalMolweight | 428.475 |
| Molweight | 428.475 |
| MonoisotopicMass | 428.105544 |
| CLogP | 2.7192 |
| CLogS | -7.773 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 309.32 |
| Relative PSA | 0.30758 |
| PolarSurfaceArea | 124.5 |
| Druglikeness | -4.928 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-(benzenesulfonyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine | 2 - 3-(benzenesulfonyl)-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
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