ethyl 5-acetyl-4-methyl-2-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-1127 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)cc2O1)=O)=O)c1c(C(=O)OCC)c(C)c(C(C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7041 |
| logD: | -0.814 |
| logSw: | -4.1159 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.523 |
| InChI Key: | XUGDDSVDHWHZTG-UHFFFAOYSA-N |