propan-2-yl 4-ethyl-5-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-ethyl-5-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
propan-2-yl 4-ethyl-5-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6311 |
| Compound Name: | propan-2-yl 4-ethyl-5-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C21 H21 N O5 S |
| Smiles: | CCc1c(C(=O)OC(C)C)c(NC(C2=Cc3ccccc3OC2=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.537 |
| logD: | -0.4262 |
| logSw: | -4.5584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.478 |
| InChI Key: | VQETVNZHBOPWOF-UHFFFAOYSA-N |