N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
Formula:C21H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide |
| MolecularFormula | C21H20N2O2 |
| Smiles | O=C(c1ccc(COc2ccccc2)cc1)N/N=C1\C2C=CCC2C1 |
| InChI | InChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-5-4-8-19(17)20)16-11-9-15(10-12-16)14-25-18-6-2-1-3-7-18/h1-4,6-12,17,19H,5,13-14H2,(H,23,24) |
| InChIK | RCGUBUHAAHJUQJ-UHFFFAOYSA-N |
| TotalMolweight | 332.402 |
| Molweight | 332.402 |
| MonoisotopicMass | 332.152478 |
| CLogP | 3.9284 |
| CLogS | -4.832 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.98 |
| Relative PSA | 0.1763 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.0893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide | 2 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
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