rel-(3aR,6aR)-2-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]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-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C685-0470 |
| Compound Name: | rel-(3aR,6aR)-2-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C24 H28 N4 O3 S2 |
| Smiles: | C(C(N1CCN(CC1)Cc1ccccc1)=O)c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.1132 |
| logD: | 2.0837 |
| logSw: | -2.7808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.003 |
| InChI Key: | GINSXGYLSCBCIW-UHFFFAOYSA-N |