N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide
Compound characteristics
| Compound ID: | K248-0219 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C25 H31 N3 O5 S2 |
| Smiles: | CCOc1ccc(CCNC(Cc2ccc(cc2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7708 |
| logD: | 1.7707 |
| logSw: | -2.6144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.803 |
| InChI Key: | VZQLQGDRWSSHDF-UHFFFAOYSA-N |