| MolName | (2R)-2-(2H-chromen-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide |
| MolecularFormula | C21H20N2O4 |
| Smiles | COc1cccc(NC([C@@H](C2=Cc(cccc3)c3OC2)N(CC2)C2=O)=O)c1 |
| InChI | InChI=1S/C21H20N2O4/c1-26-17-7-4-6-16(12-17)22-21(25)20(23-10-9-19(23)24)15-11-14-5-2-3-8-18(14)27-13-15/h2-8,11-12,20H,9-10,13H2,1H3,(H,22,25)/t20-/m1/s1 |
| InChIK | GTVNKKPGYZGISE-HXUWFJFHSA-N |
| TotalMolweight | 364.4 |
| Molweight | 364.4 |
| MonoisotopicMass | 364.142308 |
| CLogP | 2.3555 |
| CLogS | -3.403 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.03 |
| Relative PSA | 0.22293 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | 5.7586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-2-(2H-chromen-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide | 2 - (2R)-2-(2H-chromen-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide