(1R,3R,6R,7R,9R)-N-[3-[(2-chlorophenyl)carbamoyl]phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Formula:C22H19N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,3R,6R,7R,9R)-N-[3-[(2-chlorophenyl)carbamoyl]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-[3-[(2-chlorophenyl)carbamoyl]phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide |
| MolecularFormula | C22H19N2O4Cl |
| Smiles | O=C([C@H]([C@H](C[C@H]12)C[C@H]2O2)[C@@H]1C2=O)Nc1cccc(C(Nc(cccc2)c2Cl)=O)c1 |
| InChI | InChI=1S/C22H19ClN2O4/c23-15-6-1-2-7-16(15)25-20(26)11-4-3-5-13(8-11)24-21(27)18-12-9-14-17(10-12)29-22(28)19(14)18/h1-8,12,14,17-19H,9-10H2,(H,24,27)(H,25,26)/t12-,14-,17-,18-,19-/m1/s1 |
| InChIK | RDHJLIIGGAPIEE-YNCJITKKSA-N |
| TotalMolweight | 410.856 |
| Molweight | 410.856 |
| MonoisotopicMass | 410.103335 |
| CLogP | 2.9349 |
| CLogS | -5.385 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 284.13 |
| Relative PSA | 0.25355 |
| PolarSurfaceArea | 84.5 |
| Druglikeness | 2.7156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,3R,6R,7R,9R)-N-[3-[(2-chlorophenyl)carbamoyl]phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide | 2 - (1R,3R,6R,7R,9R)-N-[3-[(2-chlorophenyl)carbamoyl]phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
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