6-ethyl-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-ethyl-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-ethyl-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1564 |
| Compound Name: | 6-ethyl-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C16 H15 N3 O3 S2 |
| Smiles: | CCc1ccc2c(c1)C(C=C(C(Nc1nnc(SCC)s1)=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5696 |
| logD: | 4.4155 |
| logSw: | -4.4576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | PVJYEMYGQWQTJJ-UHFFFAOYSA-N |