| MolName | N-[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide |
| MolecularFormula | C26H24N2O5 |
| Smiles | Cc1cccc(OCC(Nc(cc2)cc(OC)c2NC(c2cc(cccc3)c3o2)=O)=O)c1C |
| InChI | InChI=1S/C26H24N2O5/c1-16-7-6-10-21(17(16)2)32-15-25(29)27-19-11-12-20(23(14-19)31-3)28-26(30)24-13-18-8-4-5-9-22(18)33-24/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30) |
| InChIK | WAVRIZJVOJYZKA-UHFFFAOYSA-N |
| TotalMolweight | 444.486 |
| Molweight | 444.486 |
| MonoisotopicMass | 444.168523 |
| CLogP | 4.6529 |
| CLogS | -6.309 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 346.03 |
| Relative PSA | 0.24018 |
| PolarSurfaceArea | 89.8 |
| Druglikeness | 1.6316 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N-[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide | 2 - N-[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide