2-[3-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
Formula:C22H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C22H18N4O4S |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2CC(Nc3ccccc3)=O)=O)\SC2=O)c1)=O |
| InChI | InChI=1S/C22H18N4O4S/c23-19(27)12-25-11-14(16-8-4-5-9-17(16)25)10-18-21(29)26(22(30)31-18)13-20(28)24-15-6-2-1-3-7-15/h1-11H,12-13H2,(H2,23,27)(H,24,28) |
| InChIK | QGFKYVMVASGVAE-UHFFFAOYSA-N |
| TotalMolweight | 434.475 |
| Molweight | 434.475 |
| MonoisotopicMass | 434.104876 |
| CLogP | 1.2888 |
| CLogS | -3.805 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 314.32 |
| Relative PSA | 0.33978 |
| PolarSurfaceArea | 139.8 |
| Druglikeness | 6.4354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
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