6-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
6-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
6-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D076-0112 |
| Compound Name: | 6-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C22 H22 Br N O5 S |
| Smiles: | Cc1c2ccc(cc2oc1C(N(Cc1cccc(c1)OC)C1CCS(C1)(=O)=O)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9376 |
| logD: | 3.9376 |
| logSw: | -4.1925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.929 |
| InChI Key: | CTRPXOMWFIKKRH-KRWDZBQOSA-N |