2-[3-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
Formula:C21H15N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C21H15N3O3ClFS |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2Cc(c(F)ccc3)c3Cl)=O)\SC2=O)c1)=O |
| InChI | InChI=1S/C21H15ClFN3O3S/c22-15-5-3-6-16(23)14(15)10-26-20(28)18(30-21(26)29)8-12-9-25(11-19(24)27)17-7-2-1-4-13(12)17/h1-9H,10-11H2,(H2,24,27) |
| InChIK | KASVZGYVGHZYEM-UHFFFAOYSA-N |
| TotalMolweight | 443.885 |
| Molweight | 443.885 |
| MonoisotopicMass | 443.050667 |
| CLogP | 2.6213 |
| CLogS | -4.904 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.88 |
| Relative PSA | 0.26818 |
| PolarSurfaceArea | 110.7 |
| Druglikeness | 4.3781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
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