6-tert-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
6-tert-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-tert-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y070-4257 |
| Compound Name: | 6-tert-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 490.64 |
| Molecular Formula: | C24 H30 N2 O5 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C(NC3CCS(C3)(=O)=O)=O)c(NC(/C=C/c3ccco3)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6998 |
| logD: | 2.9541 |
| logSw: | -4.1716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.156 |
| InChI Key: | JWIPWAZAWISCMP-UHFFFAOYSA-N |