(E)-3-thiophen-3-yl-1-[2-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one
Formula:C24H25N2O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-thiophen-3-yl-1-[2-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-thiophen-3-yl-1-[2-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one |
| MolecularFormula | C24H25N2O4F3S |
| Smiles | O=C(COc(cc1)ccc1OC(F)(F)F)N(CC1)CC1(CC1)CCN1C(/C=C/c1cscc1)=O |
| InChI | InChI=1S/C24H25F3N2O4S/c25-24(26,27)33-20-4-2-19(3-5-20)32-15-22(31)29-13-10-23(17-29)8-11-28(12-9-23)21(30)6-1-18-7-14-34-16-18/h1-7,14,16H,8-13,15,17H2 |
| InChIK | RJEPFICITMBTNT-UHFFFAOYSA-N |
| TotalMolweight | 494.533 |
| Molweight | 494.533 |
| MonoisotopicMass | 494.148712 |
| CLogP | 4.7229 |
| CLogS | -4.316 |
| H Acceptors | 6 |
| TotalSurfaceArea | 354.51 |
| Relative PSA | 0.20744 |
| PolarSurfaceArea | 87.32 |
| Druglikeness | -2.9486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-thiophen-3-yl-1-[2-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one | 2 - (E)-3-thiophen-3-yl-1-[2-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one
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