4-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate
Formula:C20H14NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate is a drug-like molecule.
| MolName | 4-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate |
| MolecularFormula | C20H14NO3S |
| Smiles | [O-]C(c1c(NC(/C=C/c2ccccc2)=O)scc1-c1ccccc1)=O |
| InChI | InChI=1S/C20H15NO3S/c22-17(12-11-14-7-3-1-4-8-14)21-19-18(20(23)24)16(13-25-19)15-9-5-2-6-10-15/h1-13H,(H,21,22)(H,23,24)/p-1 |
| InChIK | MBZMPNGHYYLKTD-UHFFFAOYSA-M |
| TotalMolweight | 348.401 |
| Molweight | 348.401 |
| MonoisotopicMass | 348.069439 |
| CLogP | 2.1786 |
| CLogS | -5.647 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.71 |
| Relative PSA | 0.26762 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 1.5291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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