methyl 2-[(8-ethoxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-(propan-2-yl)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(8-ethoxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-(propan-2-yl)thiophene-3-carboxylate
methyl 2-[(8-ethoxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-(propan-2-yl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-5681 |
| Compound Name: | methyl 2-[(8-ethoxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-(propan-2-yl)thiophene-3-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=N)Oc12)C(Nc1c(cc(C(C)C)s1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0035 |
| logD: | 0.8559 |
| logSw: | -4.2764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.43 |
| InChI Key: | XXDGJIDMXBUXSE-UHFFFAOYSA-N |