9-(3-ethoxy-4-hydroxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
Chemical Structure Depiction of
9-(3-ethoxy-4-hydroxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
9-(3-ethoxy-4-hydroxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
Compound characteristics
| Compound ID: | D008-0249 |
| Compound Name: | 9-(3-ethoxy-4-hydroxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C19 H21 N O3 S2 |
| Smiles: | CCOc1cc(ccc1O)C1C2C3CCC(C3)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.36 |
| logD: | 4.3595 |
| logSw: | -3.9009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.553 |
| InChI Key: | DTEURNFLCFXMBC-UHFFFAOYSA-N |