ethyl 4-(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}benzoyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(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}benzoyl)piperazine-1-carboxylate
ethyl 4-(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}benzoyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K248-0051 |
| Compound Name: | ethyl 4-(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}benzoyl)piperazine-1-carboxylate |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C19 H24 N4 O5 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.0553 |
| logD: | 1.0552 |
| logSw: | -2.3142 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.77 |
| InChI Key: | YGRPAVOOXYBWFD-UHFFFAOYSA-N |