N,N~2~-bis(3,5-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,N~2~-bis(3,5-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,N~2~-bis(3,5-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: | K248-0280 |
| Compound Name: | N,N~2~-bis(3,5-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: | 457.61 |
| Molecular Formula: | C23 H27 N3 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1cc(C)cc(C)c1)=O |
| Stereo: | RELATIVE |
| logP: | 4.546 |
| logD: | 4.546 |
| logSw: | -4.2423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | STXUYDCYFVOANK-UHFFFAOYSA-N |