(E)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C26H22N2O3F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C26H22N2O3F4S |
| Smiles | O=C(/C=C/c(cccc1C(F)(F)F)c1F)N(CC1)CCC1c1nc(-c(cc2)cc3c2OCCO3)cs1 |
| InChI | InChI=1S/C26H22F4N2O3S/c27-24-16(2-1-3-19(24)26(28,29)30)5-7-23(33)32-10-8-17(9-11-32)25-31-20(15-36-25)18-4-6-21-22(14-18)35-13-12-34-21/h1-7,14-15,17H,8-13H2 |
| InChIK | ULYJGZXXGFJUTI-UHFFFAOYSA-N |
| TotalMolweight | 518.53 |
| Molweight | 518.53 |
| MonoisotopicMass | 518.128725 |
| CLogP | 6.0797 |
| CLogS | -5.9 |
| H Acceptors | 5 |
| TotalSurfaceArea | 365.9 |
| Relative PSA | 0.18562 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -9.6913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one | 2 - (E)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one
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