9-[5-(4-nitrophenyl)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-nitrophenyl)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-nitrophenyl)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: | 6335-0003 |
| Compound Name: | 9-[5-(4-nitrophenyl)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: | 426.51 |
| Molecular Formula: | C21 H18 N2 O4 S2 |
| Smiles: | C1CC2CC1C1C(C3=C(NC(=O)S3)SC12)c1ccc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7212 |
| logD: | 5.7211 |
| logSw: | -5.8934 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.576 |
| InChI Key: | ZVGLNIAISAECNX-UHFFFAOYSA-N |