methyl 5-[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]-1,2,3-thiadiazole-4-carboxylate
methyl 5-[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-0004 |
| Compound Name: | methyl 5-[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 419.41 |
| Molecular Formula: | C18 H17 N3 O7 S |
| Smiles: | CC1=C(CC(Nc2c(C(=O)OC)nns2)=O)C(=O)Oc2cc(cc(c12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4601 |
| logD: | -0.4007 |
| logSw: | -2.3199 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.799 |
| InChI Key: | ZZUGRVJSANLOSA-UHFFFAOYSA-N |