5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(3-methylthiophen-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-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D051-0100 |
| Compound Name: | 5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 482.41 |
| Molecular Formula: | C20 H20 Br N O4 S2 |
| Smiles: | Cc1ccsc1CN(C1CCS(C1)(=O)=O)C(c1c(C)c2cc(ccc2o1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2209 |
| logD: | 4.2209 |
| logSw: | -4.2786 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.404 |
| InChI Key: | ALEXMYKDKPRYEO-HNNXBMFYSA-N |