| MolName | (E)-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C20H23N3O2S |
| Smiles | O=C(CN(C1CCCCC1)C(/C=C/c1ccccc1)=O)Nc1nccs1 |
| InChI | InChI=1S/C20H23N3O2S/c24-18(22-20-21-13-14-26-20)15-23(17-9-5-2-6-10-17)19(25)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,21,22,24) |
| InChIK | MVTJAAHXEQDJOQ-UHFFFAOYSA-N |
| TotalMolweight | 369.488 |
| Molweight | 369.488 |
| MonoisotopicMass | 369.151097 |
| CLogP | 3.6675 |
| CLogS | -4.21 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.04 |
| Relative PSA | 0.24713 |
| PolarSurfaceArea | 90.54 |
| Druglikeness | -1.7057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide