(E)-N-naphthalen-2-ylsulfonyl-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide
Formula:C28H21NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-naphthalen-2-ylsulfonyl-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-naphthalen-2-ylsulfonyl-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide |
| MolecularFormula | C28H21NO4S |
| Smiles | O=C(/C=C/c1ccccc1)N(C(/C=C/c1ccccc1)=O)S(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C28H21NO4S/c30-27(19-15-22-9-3-1-4-10-22)29(28(31)20-16-23-11-5-2-6-12-23)34(32,33)26-18-17-24-13-7-8-14-25(24)21-26/h1-21H |
| InChIK | IFVKJWZVIUHYPW-UHFFFAOYSA-N |
| TotalMolweight | 467.544 |
| Molweight | 467.544 |
| MonoisotopicMass | 467.119129 |
| CLogP | 5.732 |
| CLogS | -6.005 |
| H Acceptors | 5 |
| TotalSurfaceArea | 354.76 |
| Relative PSA | 0.16408 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -1.9537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 13 |
| Amides | 1 |
| StereoCon |
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