N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-cyclopentylpropanamide
Formula:C20H24N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-cyclopentylpropanamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-cyclopentylpropanamide |
| MolecularFormula | C20H24N2O3S |
| Smiles | O=C(CCC1CCCC1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C20H24N2O3S/c23-18(11-10-15-6-4-5-7-15)21-12-13-22-19(24)17(26-20(22)25)14-16-8-2-1-3-9-16/h1-3,8-9,14-15H,4-7,10-13H2,(H,21,23) |
| InChIK | RBHBPBWCGBNQQX-UHFFFAOYSA-N |
| TotalMolweight | 372.488 |
| Molweight | 372.488 |
| MonoisotopicMass | 372.150763 |
| CLogP | 3.1432 |
| CLogS | -4.45 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.05 |
| Relative PSA | 0.25038 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 3.866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-cyclopentylpropanamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-cyclopentylpropanamide
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