9-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-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: | 6194-0090 |
| Compound Name: | 9-(4-bromophenyl)-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: | 394.35 |
| Molecular Formula: | C17 H16 Br N O S2 |
| Smiles: | C1CC2CC1C1C(C3=C(NC(=O)S3)SC12)c1ccc(cc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.424 |
| logD: | 5.4239 |
| logSw: | -5.7862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.795 |
| InChI Key: | SQFALPKIUAOVMZ-UHFFFAOYSA-N |