diethyl 5-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D103-1239 |
| Compound Name: | diethyl 5-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 463.89 |
| Molecular Formula: | C21 H18 Cl N O7 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1c(C(=O)OCC)c(C)c(C(=O)OCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4458 |
| logD: | 0.6577 |
| logSw: | -4.9081 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.45 |
| InChI Key: | UWHVPBMOSBMPQP-UHFFFAOYSA-N |