2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C15H11N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C15H11N3O3S |
| Smiles | O=C(CN(C(c1c2cccc1)=O)C2=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H11N3O3S/c19-13(17-16-8-10-4-3-7-22-10)9-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-8H,9H2,(H,17,19) |
| InChIK | JHCWDNKGNSWKJT-UHFFFAOYSA-N |
| TotalMolweight | 313.336 |
| Molweight | 313.336 |
| MonoisotopicMass | 313.052112 |
| CLogP | 2.0471 |
| CLogS | -3.502 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 228.99 |
| Relative PSA | 0.37556 |
| PolarSurfaceArea | 107.08 |
| Druglikeness | 7.8506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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