[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-thiophen-2-ylprop-2-enoate
Formula:C23H17NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-thiophen-2-ylprop-2-enoate is a drug-like molecule.
| MolName | [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-thiophen-2-ylprop-2-enoate |
| MolecularFormula | C23H17NO3S |
| Smiles | O=C(C(c1ccccc1)OC(/C=C/c1cccs1)=O)c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C23H17NO3S/c25-21(13-12-17-9-6-14-28-17)27-23(16-7-2-1-3-8-16)22(26)19-15-24-20-11-5-4-10-18(19)20/h1-15,23-24H/t23-/m1/s1 |
| InChIK | FRYDODAGLJWNSU-HSZRJFAPSA-N |
| TotalMolweight | 387.458 |
| Molweight | 387.458 |
| MonoisotopicMass | 387.092914 |
| CLogP | 4.0662 |
| CLogS | -5.372 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 297.39 |
| Relative PSA | 0.23683 |
| PolarSurfaceArea | 87.4 |
| Druglikeness | 0.91454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-thiophen-2-ylprop-2-enoate | 2 - [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (E)-3-thiophen-2-ylprop-2-enoate
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