(2R)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Formula:C23H23N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is a drug-like molecule.
| MolName | (2R)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide |
| MolecularFormula | C23H23N4OF |
| Smiles | O=C([C@@H](c1ccccc1)N(CC1)CCN1c1ncccc1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C23H23FN4O/c24-19-9-11-20(12-10-19)26-23(29)22(18-6-2-1-3-7-18)28-16-14-27(15-17-28)21-8-4-5-13-25-21/h1-13,22H,14-17H2,(H,26,29)/t22-/m1/s1 |
| InChIK | AMJASMJOGWCFSM-JOCHJYFZSA-N |
| TotalMolweight | 390.461 |
| Molweight | 390.461 |
| MonoisotopicMass | 390.185589 |
| CLogP | 2.9802 |
| CLogS | -3.633 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.74 |
| Relative PSA | 0.14108 |
| PolarSurfaceArea | 48.47 |
| Druglikeness | 5.7743 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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