1-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
Formula:C19H13N5O3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 1-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C19H13N5O3S2 |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c2ccco2)c1S(c1cccs1)(=O)=O |
| InChI | InChI=1S/C19H13N5O3S2/c20-18-17(29(25,26)15-8-4-10-28-15)16-19(23-14-7-2-1-6-13(14)22-16)24(18)21-11-12-5-3-9-27-12/h1-11H,20H2 |
| InChIK | ZKEXVEVCNNYQNS-UHFFFAOYSA-N |
| TotalMolweight | 423.476 |
| Molweight | 423.476 |
| MonoisotopicMass | 423.04598 |
| CLogP | 2.8979 |
| CLogS | -8.167 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 296.19 |
| Relative PSA | 0.40055 |
| PolarSurfaceArea | 152.99 |
| Druglikeness | 3.6973 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 1-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine | 2 - 1-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
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