ethyl 4,5-dimethyl-2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
Compound ID: | D103-1050 |
Compound Name: | ethyl 4,5-dimethyl-2-[(6-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]thiophene-3-carboxylate |
Molecular Weight: | 385.44 |
Molecular Formula: | C20 H19 N O5 S |
Smiles: | [H]N(C(C1=CC(c2cc(C)ccc2O1)=O)=O)c1c(C(=O)OCC)c(C)c(C)s1 |
Stereo: | ACHIRAL |
logP: | 4.2459 |
logD: | 0.2378 |
logSw: | -4.425 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.696 |
InChI Key: | DBPLKEFUMWUARO-UHFFFAOYSA-N |