N-(3-bromophenyl)-2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Formula:C23H18N3O5BrS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-bromophenyl)-2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide is not a drug-like molecule.
| MolName | N-(3-bromophenyl)-2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide |
| MolecularFormula | C23H18N3O5BrS3 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2C(CC3)CS3(=O)=O)=O)/SC2=S)C1=O)Nc1cccc(Br)c1 |
| InChI | InChI=1S/C23H18BrN3O5S3/c24-13-4-3-5-14(10-13)25-18(28)11-26-17-7-2-1-6-16(17)19(21(26)29)20-22(30)27(23(33)34-20)15-8-9-35(31,32)12-15/h1-7,10,15H,8-9,11-12H2,(H,25,28)/t15-/m0/s1 |
| InChIK | MBPBXGMZEHSWAG-HNNXBMFYSA-N |
| TotalMolweight | 592.514 |
| Molweight | 592.514 |
| MonoisotopicMass | 590.959193 |
| CLogP | 1.0358 |
| CLogS | -5.383 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 365.7 |
| Relative PSA | 0.36027 |
| PolarSurfaceArea | 169.63 |
| Druglikeness | 0.070248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-(3-bromophenyl)-2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide | 2 - N-(3-bromophenyl)-2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
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