3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(4-methylphenyl)ethyl]benzamide
Chemical Structure Depiction of
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(4-methylphenyl)ethyl]benzamide
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(4-methylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | C685-0615 |
| Compound Name: | 3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(4-methylphenyl)ethyl]benzamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | Cc1ccc(CCNC(c2ccc(C)c(c2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8299 |
| logD: | 2.8298 |
| logSw: | -3.3816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.898 |
| InChI Key: | JHMUMASOYFUPKC-UHFFFAOYSA-N |