N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D328-0224 |
| Compound Name: | N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C20 H20 Br N O5 S |
| Smiles: | Cc1ccc2c(C)c(C(N(Cc3ccc(o3)[Br])C3CCS(C3)(=O)=O)=O)oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7407 |
| logD: | 3.7407 |
| logSw: | -3.9334 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.482 |
| InChI Key: | LAKIBGFSBNLEOX-AWEZNQCLSA-N |