| MolName | (1R)-1-(3-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione |
| MolecularFormula | C29H20N2O4 |
| Smiles | O=C(C(Oc1c2cccc1)=C([C@H]1c3cc(OCc4ccccc4)ccc3)C2=O)N1c1ncccc1 |
| InChI | InChI=1S/C29H20N2O4/c32-27-22-13-4-5-14-23(22)35-28-25(27)26(31(29(28)33)24-15-6-7-16-30-24)20-11-8-12-21(17-20)34-18-19-9-2-1-3-10-19/h1-17,26H,18H2/t26-/m1/s1 |
| InChIK | IXZUTVPFYREDAB-AREMUKBSSA-N |
| TotalMolweight | 460.488 |
| Molweight | 460.488 |
| MonoisotopicMass | 460.142308 |
| CLogP | 4.6564 |
| CLogS | -5.999 |
| H Acceptors | 6 |
| TotalSurfaceArea | 339.28 |
| Relative PSA | 0.17861 |
| PolarSurfaceArea | 68.73 |
| Druglikeness | 2.4749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (1R)-1-(3-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione | 2 - (1R)-1-(3-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione