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)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
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)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
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)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
Compound characteristics
Compound ID: | K248-0228 |
Compound Name: | 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)-N-[2-(4-ethoxyphenyl)ethyl]acetamide |
Molecular Weight: | 473.61 |
Molecular Formula: | C23 H27 N3 O4 S2 |
Smiles: | CCOc1ccc(CCNC(Cc2ccc(cc2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)cc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.1315 |
logD: | 2.1314 |
logSw: | -2.8959 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.507 |
InChI Key: | QUPCSLYLOKTBHH-UHFFFAOYSA-N |