2-(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}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-(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}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
2-(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}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C685-0320 |
| Compound Name: | 2-(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}phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C20 H26 N4 O4 S2 |
| Smiles: | C1CC(N(C1)CCCNC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3473 |
| logD: | -0.3474 |
| logSw: | -1.9627 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.895 |
| InChI Key: | NWDZHNIYQBLVOL-UHFFFAOYSA-N |