2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
Formula:C20H23N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide is a drug-like molecule.
| MolName | 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide |
| MolecularFormula | C20H23N3O3S |
| Smiles | O=C(CC1C(CC2)CC2C1)NCCN(C(/C(/S1)=C/c2cnccc2)=O)C1=O |
| InChI | InChI=1S/C20H23N3O3S/c24-18(11-16-9-13-3-4-15(16)8-13)22-6-7-23-19(25)17(27-20(23)26)10-14-2-1-5-21-12-14/h1-2,5,10,12-13,15-16H,3-4,6-9,11H2,(H,22,24) |
| InChIK | FEWUDRKUMUYBIV-UHFFFAOYSA-N |
| TotalMolweight | 385.487 |
| Molweight | 385.487 |
| MonoisotopicMass | 385.146012 |
| CLogP | 1.9333 |
| CLogS | -3.791 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 282.55 |
| Relative PSA | 0.2923 |
| PolarSurfaceArea | 104.67 |
| Druglikeness | 5.3237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide | 2 - 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
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