N-(3-chloro-4-fluorophenyl)-N~2~-(3,4-dimethylphenyl)-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]glycinamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N~2~-(3,4-dimethylphenyl)-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]glycinamide
N-(3-chloro-4-fluorophenyl)-N~2~-(3,4-dimethylphenyl)-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]glycinamide
Compound characteristics
| Compound ID: | C998-0687 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N~2~-(3,4-dimethylphenyl)-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]glycinamide |
| Molecular Weight: | 481.99 |
| Molecular Formula: | C21 H21 Cl F N3 O3 S2 |
| Smiles: | Cc1ccc(cc1C)N(CC(Nc1ccc(c(c1)[Cl])F)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 4.7048 |
| logD: | 4.6899 |
| logSw: | -4.8199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | AGQGKAYIVXIKJD-UHFFFAOYSA-N |