6-ethyl-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-ethyl-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
6-ethyl-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1496 |
| Compound Name: | 6-ethyl-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(CC)ccc2O1)=O)=O)c1nnc(C(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2055 |
| logD: | 3.1975 |
| logSw: | -4.242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.693 |
| InChI Key: | JJUATYUNZAAMFF-UHFFFAOYSA-N |