9-[(E)-2-(2-nitrophenyl)ethenyl]-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-[(E)-2-(2-nitrophenyl)ethenyl]-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-2-one
9-[(E)-2-(2-nitrophenyl)ethenyl]-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: | 6335-0022 |
| Compound Name: | 9-[(E)-2-(2-nitrophenyl)ethenyl]-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: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | C1CC2CC1C1C(/C=C/c3ccccc3[N+]([O-])=O)C3=C(NC(=O)S3)SC12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9525 |
| logD: | 4.9523 |
| logSw: | -5.0057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.876 |
| InChI Key: | SGYWDQXTPZOBCU-UHFFFAOYSA-N |