N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D051-0094 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 417.54 |
| Molecular Formula: | C21 H23 N O4 S2 |
| Smiles: | Cc1ccc2c(C)c(C(N(Cc3c(C)ccs3)C3CCS(C3)(=O)=O)=O)oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9906 |
| logD: | 3.9906 |
| logSw: | -4.0573 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.404 |
| InChI Key: | ZJZVHQGOMCIJLV-MRXNPFEDSA-N |