(5E)-3-(2-oxo-2-thiophen-2-ylethyl)-2-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
Formula:C29H22N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2-oxo-2-thiophen-2-ylethyl)-2-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one is a drug-like molecule.
| MolName | (5E)-3-(2-oxo-2-thiophen-2-ylethyl)-2-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one |
| MolecularFormula | C29H22N2O3S |
| Smiles | O=C(CN(C1=O)C(c2ccccc2)=N/C1=C/c(cc1)ccc1OCc1ccccc1)c1cccs1 |
| InChI | InChI=1S/C29H22N2O3S/c32-26(27-12-7-17-35-27)19-31-28(23-10-5-2-6-11-23)30-25(29(31)33)18-21-13-15-24(16-14-21)34-20-22-8-3-1-4-9-22/h1-18H,19-20H2 |
| InChIK | FSADVSKDBZOSBJ-UHFFFAOYSA-N |
| TotalMolweight | 478.571 |
| Molweight | 478.571 |
| MonoisotopicMass | 478.135113 |
| CLogP | 4.8758 |
| CLogS | -6.388 |
| H Acceptors | 5 |
| TotalSurfaceArea | 365.98 |
| Relative PSA | 0.19537 |
| PolarSurfaceArea | 87.21 |
| Druglikeness | 6.1488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-3-(2-oxo-2-thiophen-2-ylethyl)-2-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one | 2 - (5E)-3-(2-oxo-2-thiophen-2-ylethyl)-2-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
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