N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-fluoro-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-fluoro-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-fluoro-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D051-0104 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-fluoro-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H20 F N O4 S2 |
| Smiles: | Cc1ccsc1CN(C1CCS(C1)(=O)=O)C(c1c(C)c2cc(ccc2o1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5656 |
| logD: | 3.5656 |
| logSw: | -3.7572 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.404 |
| InChI Key: | BQEHFMYKHGEHGY-OAHLLOKOSA-N |