2-(1,3-dioxoisoindol-2-yl)ethyl (Z)-2,3-dithiophen-2-ylprop-2-enoate
Formula:C21H15NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-dioxoisoindol-2-yl)ethyl (Z)-2,3-dithiophen-2-ylprop-2-enoate is a drug-like molecule.
| MolName | 2-(1,3-dioxoisoindol-2-yl)ethyl (Z)-2,3-dithiophen-2-ylprop-2-enoate |
| MolecularFormula | C21H15NO4S2 |
| Smiles | O=C(/C(/c1cccs1)=C/c1cccs1)OCCN(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C21H15NO4S2/c23-19-15-6-1-2-7-16(15)20(24)22(19)9-10-26-21(25)17(18-8-4-12-28-18)13-14-5-3-11-27-14/h1-8,11-13H,9-10H2 |
| InChIK | KOHHDFQIGJYVRT-UHFFFAOYSA-N |
| TotalMolweight | 409.485 |
| Molweight | 409.485 |
| MonoisotopicMass | 409.044249 |
| CLogP | 3.8008 |
| CLogS | -4.345 |
| H Acceptors | 5 |
| TotalSurfaceArea | 296.94 |
| Relative PSA | 0.31451 |
| PolarSurfaceArea | 120.16 |
| Druglikeness | 6.1291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1,3-dioxoisoindol-2-yl)ethyl (Z)-2,3-dithiophen-2-ylprop-2-enoate | 2 - 2-(1,3-dioxoisoindol-2-yl)ethyl (Z)-2,3-dithiophen-2-ylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off