5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D051-0209 |
| Compound Name: | 5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C20 H20 Br N O5 S |
| Smiles: | Cc1c2cc(ccc2oc1C(N(Cc1ccc(C)o1)C1CCS(C1)(=O)=O)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6951 |
| logD: | 3.6951 |
| logSw: | -3.9328 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.648 |
| InChI Key: | UFYQTGNKQCPXAF-HNNXBMFYSA-N |