(1S,3S,6S,7S,9S)-N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Formula:C20H22N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,3S,6S,7S,9S)-N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is a drug-like molecule.
| MolName | (1S,3S,6S,7S,9S)-N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide |
| MolecularFormula | C20H22N2O5 |
| Smiles | O=C([C@@H]([C@@H](C[C@@H]12)C[C@@H]2O2)[C@H]1C2=O)Nc(cc1)ccc1C(N1CCOCC1)=O |
| InChI | InChI=1S/C20H22N2O5/c23-18(16-12-9-14-15(10-12)27-20(25)17(14)16)21-13-3-1-11(2-4-13)19(24)22-5-7-26-8-6-22/h1-4,12,14-17H,5-10H2,(H,21,23)/t12-,14-,15+,16-,17-/m0/s1 |
| InChIK | TVXRLXNAVRKECX-RKOFLFEYSA-N |
| TotalMolweight | 370.404 |
| Molweight | 370.404 |
| MonoisotopicMass | 370.152873 |
| CLogP | 0.8557 |
| CLogS | -2.847 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.33 |
| Relative PSA | 0.28585 |
| PolarSurfaceArea | 84.94 |
| Druglikeness | 4.5957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 7 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,3S,6S,7S,9S)-N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide | 2 - (1S,3S,6S,7S,9S)-N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
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