(E)-3-phenyl-1-[8-[3-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one
Formula:C24H23N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-[8-[3-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-phenyl-1-[8-[3-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one |
| MolecularFormula | C24H23N2O2F3S |
| Smiles | O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(c2cc(C(F)(F)F)ccc2)=O)SCC1 |
| InChI | InChI=1S/C24H23F3N2O2S/c25-24(26,27)20-8-4-7-19(17-20)22(31)28-13-11-23(12-14-28)29(15-16-32-23)21(30)10-9-18-5-2-1-3-6-18/h1-10,17H,11-16H2 |
| InChIK | PMRWYNAVBPBDAT-UHFFFAOYSA-N |
| TotalMolweight | 460.519 |
| Molweight | 460.519 |
| MonoisotopicMass | 460.143232 |
| CLogP | 5.472 |
| CLogS | -5.351 |
| H Acceptors | 4 |
| TotalSurfaceArea | 328.54 |
| Relative PSA | 0.15423 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | -3.5611 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-phenyl-1-[8-[3-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one | 2 - (E)-3-phenyl-1-[8-[3-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one
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