3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[2-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
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]amino}-N-[2-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[2-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | K248-0326 |
| 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]amino}-N-[2-(4-ethoxyphenyl)ethyl]-4-methylbenzamide |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CCOc1ccc(CCNC(c2ccc(C)c(c2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7754 |
| logD: | 2.7754 |
| logSw: | -3.3067 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.022 |
| InChI Key: | BKODQZJYOBGHFP-UHFFFAOYSA-N |