N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D328-0225 |
| Compound Name: | N-[(5-bromofuran-2-yl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C21 H22 Br N O5 S |
| Smiles: | Cc1cc2c(C)c(C(N(Cc3ccc(o3)[Br])C3CCS(C3)(=O)=O)=O)oc2cc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1642 |
| logD: | 4.1642 |
| logSw: | -4.2106 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.482 |
| InChI Key: | CJBQBYHVOGPHLP-HNNXBMFYSA-N |