rel-(3aR,6aR)-2-(3-nitroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(3-nitroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-(3-nitroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C200-2079 |
| Compound Name: | rel-(3aR,6aR)-2-(3-nitroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C11 H11 N3 O4 S2 |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(Nc1cccc(c1)[N+]([O-])=O)=N2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6732 |
| logD: | 1.6732 |
| logSw: | -2.4304 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.723 |
| InChI Key: | ACGXVHJPOSRLEF-VHSXEESVSA-N |