(E)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
Formula:C22H16N2OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C22H16N2OS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1 |
| InChI | InChI=1S/C22H16N2OS/c25-21(14-13-16-7-2-1-3-8-16)24-22-23-20(15-26-22)19-12-6-10-17-9-4-5-11-18(17)19/h1-15H,(H,23,24,25) |
| InChIK | YBDKBYMSGKTOBP-UHFFFAOYSA-N |
| TotalMolweight | 356.448 |
| Molweight | 356.448 |
| MonoisotopicMass | 356.098333 |
| CLogP | 5.7062 |
| CLogS | -6.615 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.79 |
| Relative PSA | 0.20098 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.3439 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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