4-[[(Z)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide
Formula:C27H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[[(Z)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide is a drug-like molecule.
| MolName | 4-[[(Z)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide |
| MolecularFormula | C27H20N4O3S |
| Smiles | O=C(/C=C\Nc(cc1)ccc1S(Nc1nc2ccccc2nc1)(=O)=O)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C27H20N4O3S/c32-26(21-10-9-19-5-1-2-6-20(19)17-21)15-16-28-22-11-13-23(14-12-22)35(33,34)31-27-18-29-24-7-3-4-8-25(24)30-27/h1-18,28H,(H,30,31) |
| InChIK | OLIHAVNCGOZICM-UHFFFAOYSA-N |
| TotalMolweight | 480.547 |
| Molweight | 480.547 |
| MonoisotopicMass | 480.125611 |
| CLogP | 3.757 |
| CLogS | -7.056 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 355.25 |
| Relative PSA | 0.24343 |
| PolarSurfaceArea | 109.43 |
| Druglikeness | 0.96 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[[(Z)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide | 2 - 4-[[(Z)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]-N-quinoxalin-2-ylbenzenesulfonamide
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