methyl 2-[6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
methyl 2-[6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-3997 |
| Compound Name: | methyl 2-[6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 516.61 |
| Molecular Formula: | C26 H32 N2 O7 S |
| Smiles: | CC(C)c1c(C(=O)OC)nc(NC(CCC(\C)=C\Cc2c(c(C)c3COC(c3c2OC)=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5437 |
| logD: | 5.4027 |
| logSw: | -5.4108 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.114 |
| InChI Key: | IRSSFCWRBBFBKA-UHFFFAOYSA-N |