N-(3-chloro-4-fluorophenyl)-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~-(3-methoxyphenyl)glycinamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-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~-(3-methoxyphenyl)glycinamide
N-(3-chloro-4-fluorophenyl)-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~-(3-methoxyphenyl)glycinamide
Compound characteristics
| Compound ID: | C998-0450 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-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~-(3-methoxyphenyl)glycinamide |
| Molecular Weight: | 483.97 |
| Molecular Formula: | C20 H19 Cl F N3 O4 S2 |
| Smiles: | COc1cccc(c1)N(CC(Nc1ccc(c(c1)[Cl])F)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7362 |
| logD: | 3.7212 |
| logSw: | -4.1021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.708 |
| InChI Key: | IIWRHFRTCNYXHW-UHFFFAOYSA-N |