6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(5-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)hex-4-enamide
Compound characteristics
| Compound ID: | Y044-2309 |
| Compound Name: | 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)hex-4-enamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | C/C(CCC(Nc1nnc(C)s1)=O)=C\Cc1c(c2C(=O)OCc2c(C)c1OC)O |
| Stereo: | ACHIRAL |
| logP: | 3.7671 |
| logD: | 3.5906 |
| logSw: | -4.1614 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.236 |
| InChI Key: | VRHTXFWRJFHNEW-UHFFFAOYSA-N |