9-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
9-(3,4-dimethoxyphenyl)-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: | D008-0250 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-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: | COc1ccc(cc1OC)C1C2C3CCC(C3)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.258 |
| logD: | 4.258 |
| logSw: | -4.3809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.056 |
| InChI Key: | SNUBHAJWZFBQHA-UHFFFAOYSA-N |