(E)-3-(3-bromophenyl)-N-cyclohexyl-N-(1,3-thiazol-2-yl)prop-2-enamide
Formula:C18H19N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromophenyl)-N-cyclohexyl-N-(1,3-thiazol-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-bromophenyl)-N-cyclohexyl-N-(1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C18H19N2OBrS |
| Smiles | O=C(/C=C/c1cccc(Br)c1)N(C1CCCCC1)c1nccs1 |
| InChI | InChI=1S/C18H19BrN2OS/c19-15-6-4-5-14(13-15)9-10-17(22)21(18-20-11-12-23-18)16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8H2 |
| InChIK | RFOWJAXOOQLBBX-UHFFFAOYSA-N |
| TotalMolweight | 391.332 |
| Molweight | 391.332 |
| MonoisotopicMass | 390.040144 |
| CLogP | 5.2919 |
| CLogS | -5.615 |
| H Acceptors | 3 |
| TotalSurfaceArea | 268.7 |
| Relative PSA | 0.17834 |
| PolarSurfaceArea | 61.44 |
| Druglikeness | -5.4502 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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