N-(3-chlorophenyl)-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-ethoxyphenyl)glycinamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-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-ethoxyphenyl)glycinamide
N-(3-chlorophenyl)-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-ethoxyphenyl)glycinamide
Compound characteristics
| Compound ID: | C998-0499 |
| Compound Name: | N-(3-chlorophenyl)-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-ethoxyphenyl)glycinamide |
| Molecular Weight: | 480 |
| Molecular Formula: | C21 H22 Cl N3 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N(CC(Nc1cccc(c1)[Cl])=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9897 |
| logD: | 3.9895 |
| logSw: | -4.2288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.288 |
| InChI Key: | MMNJBSOQKPQYTA-UHFFFAOYSA-N |