4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 5976-2385 |
| Compound Name: | 4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H18 O5 S |
| Smiles: | Cc1cc(C)c(C)c(c1)OC1=COc2cc(ccc2C1=O)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6803 |
| logD: | 5.6803 |
| logSw: | -5.5561 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.053 |
| InChI Key: | VKZOMURNBWRZKV-UHFFFAOYSA-N |