9-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
9-(4-hydroxy-3-methoxyphenyl)-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: | D008-0252 |
| Compound Name: | 9-(4-hydroxy-3-methoxyphenyl)-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: | 361.48 |
| Molecular Formula: | C18 H19 N O3 S2 |
| Smiles: | COc1cc(ccc1O)C1C2C3CCC(C3)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8412 |
| logD: | 3.8403 |
| logSw: | -3.5886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.973 |
| InChI Key: | KNUWZJNVRUBDEL-UHFFFAOYSA-N |