6,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1756 |
| Compound Name: | 6,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C15 H13 N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O)c1nnc(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1285 |
| logD: | 4.0946 |
| logSw: | -4.2616 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.738 |
| InChI Key: | CXPQGAMNMXVDKT-UHFFFAOYSA-N |