(1R,3R,6R,7R,9R)-N-[4-(4-chlorophenoxy)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Formula:C21H18NO4Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:low
(1R,3R,6R,7R,9R)-N-[4-(4-chlorophenoxy)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is a drug-like molecule.
| MolName | (1R,3R,6R,7R,9R)-N-[4-(4-chlorophenoxy)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide |
| MolecularFormula | C21H18NO4Cl |
| Smiles | O=C([C@H]([C@H](C[C@H]12)C[C@H]2O2)[C@@H]1C2=O)Nc(cc1)ccc1Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H18ClNO4/c22-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)23-20(24)18-11-9-16-17(10-11)27-21(25)19(16)18/h1-8,11,16-19H,9-10H2,(H,23,24)/t11-,16-,17-,18-,19-/m1/s1 |
| InChIK | XWDYPWMNDJIIME-ZSBIPAPESA-N |
| TotalMolweight | 383.83 |
| Molweight | 383.83 |
| MonoisotopicMass | 383.092436 |
| CLogP | 3.183 |
| CLogS | -6.17 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.92 |
| Relative PSA | 0.2172 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | 2.7156 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,3R,6R,7R,9R)-N-[4-(4-chlorophenoxy)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide | 2 - (1R,3R,6R,7R,9R)-N-[4-(4-chlorophenoxy)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
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