9-[5-(4-methylphenyl)furan-2-yl]-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-[5-(4-methylphenyl)furan-2-yl]-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
9-[5-(4-methylphenyl)furan-2-yl]-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: | D008-0247 |
| Compound Name: | 9-[5-(4-methylphenyl)furan-2-yl]-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: | 395.54 |
| Molecular Formula: | C22 H21 N O2 S2 |
| Smiles: | Cc1ccc(cc1)c1ccc(C2C3C4CCC(C4)C3SC3=C2SC(N3)=O)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2189 |
| logD: | 6.2188 |
| logSw: | -5.577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.194 |
| InChI Key: | BIMMVGCWKDAKSN-UHFFFAOYSA-N |