4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[3-(methylsulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[3-(methylsulfanyl)phenyl]benzamide
4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[3-(methylsulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K248-0205 |
| Compound Name: | 4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[3-(methylsulfanyl)phenyl]benzamide |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C19 H19 N3 O3 S3 |
| Smiles: | CSc1cccc(c1)NC(c1ccc(cc1)NC1=N[C@H]2CS(C[C@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8975 |
| logD: | 2.8972 |
| logSw: | -3.6868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.433 |
| InChI Key: | HKFHPCPECNALHC-DLBZAZTESA-N |