methyl 2-[6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamido]-5-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-3996 |
| Compound Name: | methyl 2-[6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamido]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C27 H34 N2 O7 S |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC(CCC(\C)=C\Cc2c(c(C)c3COC(c3c2OC)=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.0548 |
| logD: | 5.908 |
| logSw: | -5.4332 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.114 |
| InChI Key: | HSPLSHBJHQGDHL-UHFFFAOYSA-N |