N-[(E)-3-(benzhydrylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Formula:C28H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-(benzhydrylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-(benzhydrylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C28H23N3O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cnccc1)NC(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H23N3O2/c32-27(24-16-8-3-9-17-24)30-25(19-21-11-10-18-29-20-21)28(33)31-26(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-20,26H,(H,30,32)(H,31,33) |
| InChIK | PAXMDXNWLXOUPC-UHFFFAOYSA-N |
| TotalMolweight | 433.51 |
| Molweight | 433.51 |
| MonoisotopicMass | 433.179027 |
| CLogP | 4.8481 |
| CLogS | -5.154 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 346.93 |
| Relative PSA | 0.17286 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | 3.1825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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