N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1226 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C15 H13 N3 O3 S2 |
| Smiles: | CCSc1nnc(NC(C2=CC(c3ccc(C)cc3O2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1631 |
| logD: | 4.009 |
| logSw: | -4.2707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | HYYQQPAOUMSRIL-UHFFFAOYSA-N |