4-({[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](4-ethoxyphenyl)amino}methyl)benzonitrile
Chemical Structure Depiction of
4-({[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](4-ethoxyphenyl)amino}methyl)benzonitrile
4-({[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](4-ethoxyphenyl)amino}methyl)benzonitrile
Compound characteristics
| Compound ID: | K248-0266 |
| Compound Name: | 4-({[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](4-ethoxyphenyl)amino}methyl)benzonitrile |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N(Cc1ccc(C#N)cc1)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4847 |
| logD: | 3.4847 |
| logSw: | -3.5882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.195 |
| InChI Key: | RAQOJXZODIAJHJ-UHFFFAOYSA-N |