N-butyl-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-methylbenzamide
Chemical Structure Depiction of
N-butyl-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-methylbenzamide
N-butyl-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-methylbenzamide
Compound characteristics
| Compound ID: | K248-0072 |
| Compound Name: | N-butyl-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-methylbenzamide |
| Molecular Weight: | 381.51 |
| Molecular Formula: | C17 H23 N3 O3 S2 |
| Smiles: | CCCCN(C)C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6602 |
| logD: | 1.6601 |
| logSw: | -2.4613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.742 |
| InChI Key: | NWVJCPHQMIJBLZ-CABCVRRESA-N |