6,8-dimethyl-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6,8-dimethyl-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
6,8-dimethyl-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1720 |
| Compound Name: | 6,8-dimethyl-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(C)cc(C)c2O1)=O)=O)c1nnc(C(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1481 |
| logD: | 3.7085 |
| logSw: | -4.2393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.377 |
| InChI Key: | KPOIBLDJJLFRPV-UHFFFAOYSA-N |