(E)-1-[8-[2-(4-chlorophenoxy)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one
Formula:C24H25N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-1-[8-[2-(4-chlorophenoxy)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[8-[2-(4-chlorophenoxy)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C24H25N2O3ClS |
| Smiles | O=C(COc(cc1)ccc1Cl)N(CC1)CCC11SCCN1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H25ClN2O3S/c25-20-7-9-21(10-8-20)30-18-23(29)26-14-12-24(13-15-26)27(16-17-31-24)22(28)11-6-19-4-2-1-3-5-19/h1-11H,12-18H2 |
| InChIK | HVEUKAZKSMZNFL-UHFFFAOYSA-N |
| TotalMolweight | 456.993 |
| Molweight | 456.993 |
| MonoisotopicMass | 456.12744 |
| CLogP | 4.8046 |
| CLogS | -5.089 |
| H Acceptors | 5 |
| TotalSurfaceArea | 338.26 |
| Relative PSA | 0.17936 |
| PolarSurfaceArea | 75.15 |
| Druglikeness | 3.6125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (E)-1-[8-[2-(4-chlorophenoxy)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[8-[2-(4-chlorophenoxy)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one
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