2-[(2-nitroanilino)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-nitroanilino)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-nitroanilino)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 2729-0327 |
| Compound Name: | 2-[(2-nitroanilino)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 298.32 |
| Molecular Formula: | C15 H10 N2 O3 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)/Nc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6021 |
| logD: | 3.6021 |
| logSw: | -4.1028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.384 |
| InChI Key: | KJRUYPQYQIVVDF-UHFFFAOYSA-N |