rel-(3aR,6aR)-2-{2-methyl-5-[4-(pyrimidin-2-yl)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-{2-methyl-5-[4-(pyrimidin-2-yl)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-{2-methyl-5-[4-(pyrimidin-2-yl)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: | C685-0670 |
| Compound Name: | rel-(3aR,6aR)-2-{2-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C21 H24 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.604 |
| logD: | 1.6039 |
| logSw: | -2.5738 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.915 |
| InChI Key: | UDJSATOHPPBARG-UHFFFAOYSA-N |