rel-(3aR,6aR)-2-(4-{4-[2-(4-chlorophenoxy)ethyl]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-[2-(4-chlorophenoxy)ethyl]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-[2-(4-chlorophenoxy)ethyl]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: | K248-0181 |
Compound Name: | rel-(3aR,6aR)-2-(4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
Molecular Weight: | 535.08 |
Molecular Formula: | C24 H27 Cl N4 O4 S2 |
Smiles: | C1CN(CCN1CCOc1ccc(cc1)[Cl])C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.7092 |
logD: | 2.7023 |
logSw: | -3.7315 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.926 |
InChI Key: | SJPVXORKBCIOKW-UHFFFAOYSA-N |