(1S,9R,10S,17R)-16-oxo-N-phenyl-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carboxamide
Formula:C22H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,9R,10S,17R)-16-oxo-N-phenyl-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carboxamide is a drug-like molecule.
| MolName | (1S,9R,10S,17R)-16-oxo-N-phenyl-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carboxamide |
| MolecularFormula | C22H22N2O3 |
| Smiles | O=C([C@@H]([C@@H]([C@@H]1CCCC2)c(cccc3)c3O[C@]12N1)C1=O)Nc1ccccc1 |
| InChI | InChI=1S/C22H22N2O3/c25-20(23-14-8-2-1-3-9-14)19-18-15-10-4-5-12-17(15)27-22(24-21(19)26)13-7-6-11-16(18)22/h1-5,8-10,12,16,18-19H,6-7,11,13H2,(H,23,25)(H,24,26)/t16-,18+,19-,22+/m1/s1 |
| InChIK | ZAHARZWUPRFYDC-TXXUCJGISA-N |
| TotalMolweight | 362.428 |
| Molweight | 362.428 |
| MonoisotopicMass | 362.163043 |
| CLogP | 3.4876 |
| CLogS | -4.692 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.89 |
| Relative PSA | 0.22358 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -1.5012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,9R,10S,17R)-16-oxo-N-phenyl-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carboxamide | 2 - (1S,9R,10S,17R)-16-oxo-N-phenyl-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carboxamide
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