diethyl 3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 0988-0091 |
| Compound Name: | diethyl 3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C21 H19 N O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4644 |
| logD: | -1.2996 |
| logSw: | -4.0058 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.553 |
| InChI Key: | LTMRFRRUGRYBPO-UHFFFAOYSA-N |