(E)-N-[3-(4-chlorophenyl)sulfanyl-5-pyridin-3-yloxyphenyl]-3-phenylprop-2-enamide
Formula:C26H19N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[3-(4-chlorophenyl)sulfanyl-5-pyridin-3-yloxyphenyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[3-(4-chlorophenyl)sulfanyl-5-pyridin-3-yloxyphenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C26H19N2O2ClS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1cc(Sc(cc2)ccc2Cl)cc(Oc2cnccc2)c1 |
| InChI | InChI=1S/C26H19ClN2O2S/c27-20-9-11-24(12-10-20)32-25-16-21(15-23(17-25)31-22-7-4-14-28-18-22)29-26(30)13-8-19-5-2-1-3-6-19/h1-18H,(H,29,30) |
| InChIK | RWADQGYVNTVAFW-UHFFFAOYSA-N |
| TotalMolweight | 458.968 |
| Molweight | 458.968 |
| MonoisotopicMass | 458.085575 |
| CLogP | 5.9581 |
| CLogS | -7.522 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 349.92 |
| Relative PSA | 0.17993 |
| PolarSurfaceArea | 76.52 |
| Druglikeness | 0.0405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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