N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopentanecarboxamide
Formula:C18H20N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopentanecarboxamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopentanecarboxamide |
| MolecularFormula | C18H20N2O3S |
| Smiles | O=C(C1CCCC1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C18H20N2O3S/c21-16(14-8-4-5-9-14)19-10-11-20-17(22)15(24-18(20)23)12-13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,21) |
| InChIK | XUFNIJDIHYXJLM-UHFFFAOYSA-N |
| TotalMolweight | 344.434 |
| Molweight | 344.434 |
| MonoisotopicMass | 344.119463 |
| CLogP | 2.2344 |
| CLogS | -3.91 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 258.53 |
| Relative PSA | 0.27703 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 4.1934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopentanecarboxamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopentanecarboxamide
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