N~2~-(3-chloro-4-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-(2,4,6-trimethylphenyl)glycinamide
Chemical Structure Depiction of
N~2~-(3-chloro-4-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-(2,4,6-trimethylphenyl)glycinamide
N~2~-(3-chloro-4-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-(2,4,6-trimethylphenyl)glycinamide
Compound characteristics
| Compound ID: | C998-0260 |
| Compound Name: | N~2~-(3-chloro-4-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-(2,4,6-trimethylphenyl)glycinamide |
| Molecular Weight: | 492.06 |
| Molecular Formula: | C23 H26 Cl N3 O3 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1ccc(C)c(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6102 |
| logD: | 4.6102 |
| logSw: | -4.6608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.769 |
| InChI Key: | RZNQMTNIVVJVBH-UHFFFAOYSA-N |