(1S,2S)-N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
Formula:C18H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2S)-N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1S,2S)-N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C18H22N2O |
| Smiles | O=C([C@@H](C1)[C@H]1c1ccccc1)N/N=C\[C@@H]1[C@H](CC2)C[C@H]2C1 |
| InChI | InChI=1S/C18H22N2O/c21-18(17-10-16(17)13-4-2-1-3-5-13)20-19-11-15-9-12-6-7-14(15)8-12/h1-5,11-12,14-17H,6-10H2,(H,20,21)/t12-,14+,15+,16-,17-/m0/s1 |
| InChIK | MAYMNKZQJBDATR-WFKFIOEPSA-N |
| TotalMolweight | 282.386 |
| Molweight | 282.386 |
| MonoisotopicMass | 282.173213 |
| CLogP | 3.3131 |
| CLogS | -4.514 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.03 |
| Relative PSA | 0.16516 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.5669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,2S)-N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide | 2 - (1S,2S)-N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
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