3-({[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)-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-({[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)-4-methoxybenzaldehyde
3-({[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)-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | K248-0258 |
| Compound Name: | 3-({[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)-4-methoxybenzaldehyde |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C22 H24 N2 O5 S2 |
| Smiles: | CCOc1ccc(cc1)N(Cc1cc(C=O)ccc1OC)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2563 |
| logD: | 3.2563 |
| logSw: | -3.3879 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.928 |
| InChI Key: | PSKPDVBKDJUYRU-UHFFFAOYSA-N |