8-methyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
8-methyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
8-methyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0181 |
| Compound Name: | 8-methyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C14 H11 N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2cccc(C)c2O1)=O)=O)c1nnc(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.653 |
| logD: | 3.6191 |
| logSw: | -4.0933 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.738 |
| InChI Key: | XREMDZZNIYNXIC-UHFFFAOYSA-N |