ethyl 4-({N-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(4-fluorophenyl)glycyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({N-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(4-fluorophenyl)glycyl}amino)benzoate
ethyl 4-({N-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(4-fluorophenyl)glycyl}amino)benzoate
Compound characteristics
| Compound ID: | C998-0087 |
| Compound Name: | ethyl 4-({N-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(4-fluorophenyl)glycyl}amino)benzoate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C22 H22 F N3 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4977 |
| logD: | 3.4975 |
| logSw: | -3.7508 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.918 |
| InChI Key: | LTADTKZYEPUITL-UHFFFAOYSA-N |