6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1044 |
| Compound Name: | 6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)ccc2O1)=O)=O)c1nnc(CC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1247 |
| logD: | 3.098 |
| logSw: | -4.2841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.188 |
| InChI Key: | ULBFRWRYPRYAHS-UHFFFAOYSA-N |