rel-(3aR,6aR)-2-(4-{2-[4-(4-fluorophenyl)piperazin-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-(4-fluorophenyl)piperazin-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-(4-fluorophenyl)piperazin-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: | C685-0451 |
Compound Name: | rel-(3aR,6aR)-2-(4-{2-[4-(4-fluorophenyl)piperazin-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: | 488.6 |
Molecular Formula: | C23 H25 F N4 O3 S2 |
Smiles: | C(C(N1CCN(CC1)c1ccc(cc1)F)=O)c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.5828 |
logD: | 2.5827 |
logSw: | -3.1201 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.723 |
InChI Key: | SPHFNAWFJDPPGA-UHFFFAOYSA-N |