5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D076-0300 |
| Compound Name: | 5-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 480.35 |
| Molecular Formula: | C21 H19 Br F N O4 S |
| Smiles: | Cc1c2cc(ccc2oc1C(N(Cc1cccc(c1)F)C1CCS(C1)(=O)=O)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8967 |
| logD: | 3.8967 |
| logSw: | -3.9441 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.386 |
| InChI Key: | XJNJLGWKJUPNON-KRWDZBQOSA-N |