methyl 5-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate
methyl 5-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-3393 |
| Compound Name: | methyl 5-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(Nc1c(C(=O)OC)nns1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7402 |
| logD: | 0.8044 |
| logSw: | -3.4434 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.609 |
| InChI Key: | XAGRSFGYYHGZTF-UHFFFAOYSA-N |