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-(2-ethylpiperidin-1-yl)propyl]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-(2-ethylpiperidin-1-yl)propyl]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-(2-ethylpiperidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K248-0077 |
| 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-(2-ethylpiperidin-1-yl)propyl]benzamide |
| Molecular Weight: | 464.65 |
| Molecular Formula: | C22 H32 N4 O3 S2 |
| Smiles: | CCC1CCCCN1CCCNC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1201 |
| logD: | -0.7469 |
| logSw: | -2.8646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.391 |
| InChI Key: | VHWLCHCYPMWFEA-UHFFFAOYSA-N |