N-[2-chloro-6-(trifluoromethyl)phenyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
Formula:C23H23N3O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-chloro-6-(trifluoromethyl)phenyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is not a drug-like molecule.
| MolName | N-[2-chloro-6-(trifluoromethyl)phenyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide |
| MolecularFormula | C23H23N3O2ClF3S |
| Smiles | O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(Nc(c(C(F)(F)F)ccc2)c2Cl)=O)CC1 |
| InChI | InChI=1S/C23H23ClF3N3O2S/c24-18-3-1-2-17(23(25,26)27)20(18)28-21(32)30-12-9-22(15-30)7-10-29(11-8-22)19(31)5-4-16-6-13-33-14-16/h1-6,13-14H,7-12,15H2,(H,28,32) |
| InChIK | QOUYHVRRQZVIFU-UHFFFAOYSA-N |
| TotalMolweight | 497.968 |
| Molweight | 497.968 |
| MonoisotopicMass | 497.115158 |
| CLogP | 5.4972 |
| CLogS | -5.543 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 347.63 |
| Relative PSA | 0.18698 |
| PolarSurfaceArea | 80.89 |
| Druglikeness | -1.6385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-chloro-6-(trifluoromethyl)phenyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide | 2 - N-[2-chloro-6-(trifluoromethyl)phenyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
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