ethyl 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate
ethyl 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y040-7717 |
| Compound Name: | ethyl 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 567.66 |
| Molecular Formula: | C33 H29 N O6 S |
| Smiles: | CCOC(c1c(csc1NC(COc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9693 |
| logD: | 6.9538 |
| logSw: | -5.8868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.313 |
| InChI Key: | FDWRFUJGAVPOGG-UHFFFAOYSA-N |