N-(5-chloro-2-methylphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(2-fluorophenyl)glycinamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(2-fluorophenyl)glycinamide
N-(5-chloro-2-methylphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(2-fluorophenyl)glycinamide
Compound characteristics
| Compound ID: | K248-0290 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(2-fluorophenyl)glycinamide |
| Molecular Weight: | 467.97 |
| Molecular Formula: | C20 H19 Cl F N3 O3 S2 |
| Smiles: | Cc1ccc(cc1NC(CN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1ccccc1F)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.301 |
| logD: | 3.3006 |
| logSw: | -3.6996 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.166 |
| InChI Key: | DUJGDMPGNNCBTQ-UHFFFAOYSA-N |