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-[(pyridin-2-yl)methyl]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-[(pyridin-2-yl)methyl]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-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C685-0508 |
| 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-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C19 H20 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(NCc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5631 |
| logD: | 1.563 |
| logSw: | -2.5351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.6 |
| InChI Key: | NZVMROQWFHNFIG-UHFFFAOYSA-N |