3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Formula:C22H14N6O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C22H14N6O2Cl2S |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c2ncccc2)c1S(c(cc(cc1)Cl)c1Cl)(=O)=O |
| InChI | InChI=1S/C22H14Cl2N6O2S/c23-13-8-9-15(24)18(11-13)33(31,32)20-19-22(29-17-7-2-1-6-16(17)28-19)30(21(20)25)27-12-14-5-3-4-10-26-14/h1-12H,25H2 |
| InChIK | KDTSZPBIMOBVFM-UHFFFAOYSA-N |
| TotalMolweight | 497.365 |
| Molweight | 497.365 |
| MonoisotopicMass | 496.027598 |
| CLogP | 3.9852 |
| CLogS | -9.269 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 340.16 |
| Relative PSA | 0.27969 |
| PolarSurfaceArea | 124.5 |
| Druglikeness | 3.9779 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine | 2 - 3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
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