6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)hex-4-enamide
Chemical Structure Depiction of
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)hex-4-enamide
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)hex-4-enamide
Compound characteristics
| Compound ID: | Y043-3741 |
| Compound Name: | 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)hex-4-enamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CCCc1nnc(NC(CCC(\C)=C\Cc2c(c3C(=O)OCc3c(C)c2OC)O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0712 |
| logD: | 4.9016 |
| logSw: | -4.6627 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.925 |
| InChI Key: | ZLTDOFJVCFHWCK-UHFFFAOYSA-N |