N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Compound characteristics
| Compound ID: | Y042-4006 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | CC1=C(CC(Nc2nnc(C(C)(C)C)s2)=O)C(=O)Oc2c1ccc(c2OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7256 |
| logD: | 3.6765 |
| logSw: | -4.1433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.615 |
| InChI Key: | BSMHGUIWSYMTQI-UHFFFAOYSA-N |