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-methoxyphenyl)-N-[(oxolan-2-yl)methyl]glycinamide
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~2~-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]glycinamide
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-methoxyphenyl)-N-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | C998-0373 |
| 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~2~-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C19 H25 N3 O5 S2 |
| Smiles: | COc1ccc(cc1)N(CC(NCC1CCCO1)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8828 |
| logD: | 0.8828 |
| logSw: | -2.2856 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.685 |
| InChI Key: | LLDYTUDIHGQVJW-UHFFFAOYSA-N |