(E)-3-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one
Formula:C25H23NO2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:low
(E)-3-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one |
| MolecularFormula | C25H23NO2S |
| Smiles | O=C(/C=C/c1ccccc1)N1C(c(cccc2)c2OCc2ccccc2)SCC1 |
| InChI | InChI=1S/C25H23NO2S/c27-24(16-15-20-9-3-1-4-10-20)26-17-18-29-25(26)22-13-7-8-14-23(22)28-19-21-11-5-2-6-12-21/h1-16,25H,17-19H2/t25-/m0/s1 |
| InChIK | HMOFQYAHLPLZGI-VWLOTQADSA-N |
| TotalMolweight | 401.529 |
| Molweight | 401.529 |
| MonoisotopicMass | 401.144949 |
| CLogP | 5.0017 |
| CLogS | -4.782 |
| H Acceptors | 3 |
| TotalSurfaceArea | 315.1 |
| Relative PSA | 0.13989 |
| PolarSurfaceArea | 54.84 |
| Druglikeness | 2.4179 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one | 2 - (E)-3-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]prop-2-en-1-one
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