1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate
Chemical Structure Depiction of
1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate
1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate
Compound characteristics
| Compound ID: | D313-0085 |
| Compound Name: | 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C22 H15 Br O4 S |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1cccs1)OC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4597 |
| logD: | 5.4597 |
| logSw: | -5.6628 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.533 |
| InChI Key: | FXMPGTJGRLLXGR-UHFFFAOYSA-N |