N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-{[3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetamide
Chemical Structure Depiction of
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-{[3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetamide
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-{[3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetamide
Compound characteristics
| Compound ID: | Y042-3284 |
| Compound Name: | N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-{[3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | Cc1nc(cs1)C1=Cc2ccc(cc2OC1=O)OCC(NCC(C)(C)CN(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6031 |
| logD: | 0.0939 |
| logSw: | -3.1631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.558 |
| InChI Key: | CDBIWPBSJLLUBB-UHFFFAOYSA-N |