N-(butan-2-yl)-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}benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-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}benzamide
N-(butan-2-yl)-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}benzamide
Compound characteristics
| Compound ID: | K248-0068 |
| Compound Name: | N-(butan-2-yl)-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}benzamide |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C16 H21 N3 O3 S2 |
| Smiles: | CCC(C)NC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3822 |
| logD: | 1.3821 |
| logSw: | -2.3653 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.468 |
| InChI Key: | ZAUFWRCNUCMQOH-UHFFFAOYSA-N |