N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenoxypropanamide
Formula:C21H20N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenoxypropanamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenoxypropanamide |
| MolecularFormula | C21H20N2O4S |
| Smiles | O=C(CCOc1ccccc1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C21H20N2O4S/c24-19(11-14-27-17-9-5-2-6-10-17)22-12-13-23-20(25)18(28-21(23)26)15-16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,22,24) |
| InChIK | BHVMVVUUUMGEHQ-UHFFFAOYSA-N |
| TotalMolweight | 396.466 |
| Molweight | 396.466 |
| MonoisotopicMass | 396.114378 |
| CLogP | 2.7054 |
| CLogS | -4.074 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.77 |
| Relative PSA | 0.27047 |
| PolarSurfaceArea | 101.01 |
| Druglikeness | 5.5019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| 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-phenoxypropanamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenoxypropanamide
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