| MolName | N-[(2R)-1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide |
| MolecularFormula | C23H24N4O3 |
| Smiles | O=C([C@@H](Cc1ccccc1)NC(c1ccco1)=O)N(CC1)CCN1c1ncccc1 |
| InChI | InChI=1S/C23H24N4O3/c28-22(20-9-6-16-30-20)25-19(17-18-7-2-1-3-8-18)23(29)27-14-12-26(13-15-27)21-10-4-5-11-24-21/h1-11,16,19H,12-15,17H2,(H,25,28)/t19-/m1/s1 |
| InChIK | RCWFDWLKEBESJP-LJQANCHMSA-N |
| TotalMolweight | 404.469 |
| Molweight | 404.469 |
| MonoisotopicMass | 404.184841 |
| CLogP | 2.3626 |
| CLogS | -3.365 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 316.59 |
| Relative PSA | 0.22022 |
| PolarSurfaceArea | 78.68 |
| Druglikeness | 9.1108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2R)-1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide | 2 - N-[(2R)-1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide