6-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
6-bromo-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
6-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: | D051-0218 |
Compound Name: | 6-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: | Cc1c2ccc(cc2oc1C(N(Cc1ccc(C)o1)C1CCS(C1)(=O)=O)=O)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8027 |
logD: | 3.8027 |
logSw: | -4.0053 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 59.648 |
InChI Key: | AJQQSCCCPVDGAV-HNNXBMFYSA-N |