2-[3-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
Formula:C20H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-(2-morpholin-4-yl-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-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C20H20N4O5S |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2CC(N3CCOCC3)=O)=O)\SC2=O)c1)=O |
| InChI | InChI=1S/C20H20N4O5S/c21-17(25)11-23-10-13(14-3-1-2-4-15(14)23)9-16-19(27)24(20(28)30-16)12-18(26)22-5-7-29-8-6-22/h1-4,9-10H,5-8,11-12H2,(H2,21,25) |
| InChIK | NSUXFXSYJQVYLQ-UHFFFAOYSA-N |
| TotalMolweight | 428.468 |
| Molweight | 428.468 |
| MonoisotopicMass | 428.115441 |
| CLogP | -0.1844 |
| CLogS | -2.003 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 304.94 |
| Relative PSA | 0.35709 |
| PolarSurfaceArea | 140.24 |
| Druglikeness | 5.5699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
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