2-[3-[(Z)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
Formula:C21H16N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C21H16N4O5S |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2Cc3cc([N+]([O-])=O)ccc3)=O)\SC2=O)c1)=O |
| InChI | InChI=1S/C21H16N4O5S/c22-19(26)12-23-11-14(16-6-1-2-7-17(16)23)9-18-20(27)24(21(28)31-18)10-13-4-3-5-15(8-13)25(29)30/h1-9,11H,10,12H2,(H2,22,26) |
| InChIK | SIPYPVRHFNLXFQ-UHFFFAOYSA-N |
| TotalMolweight | 436.447 |
| Molweight | 436.447 |
| MonoisotopicMass | 436.084141 |
| CLogP | 0.9929 |
| CLogS | -4.314 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 308.78 |
| Relative PSA | 0.36505 |
| PolarSurfaceArea | 156.52 |
| Druglikeness | 0.62702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[3-[(3-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
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