6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1338 |
| Compound Name: | 6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 367.83 |
| Molecular Formula: | C14 H10 Cl N3 O3 S2 |
| Smiles: | CCSc1nnc(NC(C2=CC(c3cc(ccc3O2)[Cl])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3018 |
| logD: | 4.1478 |
| logSw: | -4.6531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | GLCOFYVZYBCEQK-UHFFFAOYSA-N |