N-(5-benzyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Chemical Structure Depiction of
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Compound characteristics
| Compound ID: | Y043-2337 |
| Compound Name: | N-(5-benzyl-1,3,4-thiadiazol-2-yl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | C/C(CCC(Nc1nnc(Cc2ccccc2)s1)=O)=C\Cc1c(c2C(=O)OCc2c(C)c1OC)O |
| Stereo: | ACHIRAL |
| logP: | 5.5559 |
| logD: | 5.511 |
| logSw: | -5.4442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.654 |
| InChI Key: | XBTCULMBNFASRT-UHFFFAOYSA-N |