| MolName | (1R)-1-(3-phenoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione |
| MolecularFormula | C28H18N2O4 |
| Smiles | O=C(C(Oc1c2cccc1)=C([C@H]1c3cc(Oc4ccccc4)ccc3)C2=O)N1c1ncccc1 |
| InChI | InChI=1S/C28H18N2O4/c31-26-21-13-4-5-14-22(21)34-27-24(26)25(30(28(27)32)23-15-6-7-16-29-23)18-9-8-12-20(17-18)33-19-10-2-1-3-11-19/h1-17,25H/t25-/m1/s1 |
| InChIK | NDXOVLVPXAWXLZ-RUZDIDTESA-N |
| TotalMolweight | 446.461 |
| Molweight | 446.461 |
| MonoisotopicMass | 446.126658 |
| CLogP | 4.7039 |
| CLogS | -6.955 |
| H Acceptors | 6 |
| TotalSurfaceArea | 325.52 |
| Relative PSA | 0.18616 |
| PolarSurfaceArea | 68.73 |
| Druglikeness | 2.6612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (1R)-1-(3-phenoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione | 2 - (1R)-1-(3-phenoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione