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-(4-ethoxyphenyl)-N~2~-[4-(propan-2-yl)phenyl]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-(4-ethoxyphenyl)-N~2~-[4-(propan-2-yl)phenyl]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-(4-ethoxyphenyl)-N~2~-[4-(propan-2-yl)phenyl]glycinamide
Compound characteristics
| Compound ID: | C998-0538 |
| 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-(4-ethoxyphenyl)-N~2~-[4-(propan-2-yl)phenyl]glycinamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5744 |
| logD: | 4.5744 |
| logSw: | -4.0883 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.288 |
| InChI Key: | ABQBPPFCPPUJGP-UHFFFAOYSA-N |