N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-1-benzopyran-2-carboxamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0214 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-fluoro-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C14 H10 F N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)F)=O)=O)c1nnc(SCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8464 |
| logD: | 3.6924 |
| logSw: | -3.9645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | YMCONGOCBXHYFU-UHFFFAOYSA-N |