(E)-3-phenyl-N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]prop-2-enamide
Formula:C22H26N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]prop-2-enamide |
| MolecularFormula | C22H26N2OS |
| Smiles | O=C(/C=C/c1ccccc1)NC1CC(CCC2)N(Cc3cccs3)C2C1 |
| InChI | InChI=1S/C22H26N2OS/c25-22(12-11-17-6-2-1-3-7-17)23-18-14-19-8-4-9-20(15-18)24(19)16-21-10-5-13-26-21/h1-3,5-7,10-13,18-20H,4,8-9,14-16H2,(H,23,25) |
| InChIK | NBRAKHSEQTYVPB-UHFFFAOYSA-N |
| TotalMolweight | 366.527 |
| Molweight | 366.527 |
| MonoisotopicMass | 366.176583 |
| CLogP | 3.9116 |
| CLogS | -4.623 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.03 |
| Relative PSA | 0.16807 |
| PolarSurfaceArea | 60.58 |
| Druglikeness | 1.4667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (E)-3-phenyl-N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]prop-2-enamide | 2 - (E)-3-phenyl-N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]prop-2-enamide
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