2-[(4-bromo-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(4-bromo-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(4-bromo-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8004-4612 |
| Compound Name: | 2-[(4-bromo-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 362.2 |
| Molecular Formula: | C15 H8 Br N O3 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccc(c(c1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4261 |
| logD: | 4.4261 |
| logSw: | -4.6037 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.48 |
| InChI Key: | VMJAGSQZFJFFHZ-UHFFFAOYSA-N |