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-oxopyrrolidin-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-oxopyrrolidin-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-oxopyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K248-0158 |
| 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-oxopyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C19 H24 N4 O4 S2 |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0738 |
| logD: | -0.0739 |
| logSw: | -2.1278 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.109 |
| InChI Key: | FVNCHPZHLNNTSJ-UHFFFAOYSA-N |