[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
Formula:C21H21N2O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C21H21N2O5FS |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1F)=O)Nc1cccc(S(N2CCCC2)(=O)=O)c1 |
| InChI | InChI=1S/C21H21FN2O5S/c22-17-9-6-16(7-10-17)8-11-21(26)29-15-20(25)23-18-4-3-5-19(14-18)30(27,28)24-12-1-2-13-24/h3-11,14H,1-2,12-13,15H2,(H,23,25) |
| InChIK | SCXUCYQEHLHTSN-UHFFFAOYSA-N |
| TotalMolweight | 432.471 |
| Molweight | 432.471 |
| MonoisotopicMass | 432.115521 |
| CLogP | 2.6598 |
| CLogS | -3.54 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 317.01 |
| Relative PSA | 0.25132 |
| PolarSurfaceArea | 101.16 |
| Druglikeness | -3.8041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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