N-[2-(2,4-dimethoxyphenyl)ethyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(2,4-dimethoxyphenyl)ethyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1065 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | COc1ccc(CCNC(c2c3CSc4ccccc4c3on2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6558 |
| logD: | 3.6558 |
| logSw: | -4.0906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.748 |
| InChI Key: | JWKAGFWSCNLBDD-UHFFFAOYSA-N |