N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1606 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2c(C)cc(C)cc2O1)=O)=O)c1nnc(CC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0537 |
| logD: | 3.027 |
| logSw: | -4.1447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.188 |
| InChI Key: | KKYBDIUZIGTMMG-UHFFFAOYSA-N |