[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone
[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S985-0114 |
| Compound Name: | [rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 361.5 |
| Molecular Formula: | C19 H27 N3 O2 S |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2017 |
| logD: | -3.8721 |
| logSw: | -2.4323 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.17 |
| InChI Key: | XTRQHAGWAHHCTB-BEFAXECRSA-N |