N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Chemical Structure Depiction of
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Compound characteristics
| Compound ID: | Y043-2344 |
| Compound Name: | N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | C/C(CCC(Nc1nnc(C2CC2)s1)=O)=C\Cc1c(c(C)c2COC(c2c1OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7415 |
| logD: | 4.5784 |
| logSw: | -4.577 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.919 |
| InChI Key: | TYEYOQHAIZXQRH-UHFFFAOYSA-N |