rel-(3aR,6aR)-2-{4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino}-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-{4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | K248-0093 |
| Compound Name: | rel-(3aR,6aR)-2-{4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C22 H23 N5 O5 S2 |
| Smiles: | C1CN(CCN1C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2001 |
| logD: | 2.2 |
| logSw: | -2.7981 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.632 |
| InChI Key: | YBDNOVGGGQMCRY-UHFFFAOYSA-N |