N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D328-0234 |
| Compound Name: | N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C21 H22 Br N O5 S |
| Smiles: | CCc1ccc2c(c1)c(C)c(C(N(Cc1ccc(o1)[Br])C1CCS(C1)(=O)=O)=O)o2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0867 |
| logD: | 4.0867 |
| logSw: | -4.0831 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.482 |
| InChI Key: | XJCBFIBTCBRNNW-HNNXBMFYSA-N |