methyl 4,5-dimethyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
methyl 4,5-dimethyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-3970 |
| Compound Name: | methyl 4,5-dimethyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 357.38 |
| Molecular Formula: | C18 H15 N O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(C2=Cc3ccccc3OC2=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.1565 |
| logD: | -1.8274 |
| logSw: | -3.6809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.219 |
| InChI Key: | XRVJBTZMWVLCKC-UHFFFAOYSA-N |