9-(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-(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-(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: | D008-0258 |
| Compound Name: | 9-(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: | 331.45 |
| Molecular Formula: | C17 H17 N O2 S2 |
| Smiles: | C1CC2CC1C1C(C3=C(NC(=O)S3)SC12)c1ccc(cc1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9703 |
| logD: | 3.9699 |
| logSw: | -4.1832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.412 |
| InChI Key: | INQVDHLYPDIHJN-UHFFFAOYSA-N |