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-[(oxolan-2-yl)methyl]-N~2~-phenylglycinamide
Chemical Structure Depiction of
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-[(oxolan-2-yl)methyl]-N~2~-phenylglycinamide
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-[(oxolan-2-yl)methyl]-N~2~-phenylglycinamide
Compound characteristics
| Compound ID: | C998-0608 |
| Compound Name: | 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-[(oxolan-2-yl)methyl]-N~2~-phenylglycinamide |
| Molecular Weight: | 409.52 |
| Molecular Formula: | C18 H23 N3 O4 S2 |
| Smiles: | C1CC(CNC(CN(C2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)c2ccccc2)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7789 |
| logD: | 0.7788 |
| logSw: | -2.2492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.141 |
| InChI Key: | UXUNJZONUWQPQU-UHFFFAOYSA-N |