N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
Formula:C23H20N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is a drug-like molecule.
| MolName | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]benzamide |
| MolecularFormula | C23H20N2O5S |
| Smiles | O=C(c(cccc1)c1NS(/C=C/c1ccccc1)(=O)=O)Nc(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C23H20N2O5S/c26-23(24-18-10-11-21-22(16-18)30-14-13-29-21)19-8-4-5-9-20(19)25-31(27,28)15-12-17-6-2-1-3-7-17/h1-12,15-16,25H,13-14H2,(H,24,26) |
| InChIK | RFMJKGTXIYAVMD-UHFFFAOYSA-N |
| TotalMolweight | 436.487 |
| Molweight | 436.487 |
| MonoisotopicMass | 436.109293 |
| CLogP | 3.6109 |
| CLogS | -6.073 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 322.55 |
| Relative PSA | 0.2621 |
| PolarSurfaceArea | 102.11 |
| Druglikeness | -8.6977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]benzamide | 2 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
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