methyl 5-{2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-{2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate
methyl 5-{2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-3392 |
| Compound Name: | methyl 5-{2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)OCC(Nc1c(C(=O)OC)nns1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.26 |
| logD: | 0.3243 |
| logSw: | -3.1632 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.609 |
| InChI Key: | JZEMFXAMOCSMCZ-UHFFFAOYSA-N |