3-{2-oxo-2-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-oxo-2-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethyl}-1,3-benzoxazol-2(3H)-one
3-{2-oxo-2-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S985-0170 |
| Compound Name: | 3-{2-oxo-2-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5275 |
| logD: | -4.6624 |
| logSw: | -1.9892 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.724 |
| InChI Key: | ILQQEMIYEMSZHR-HXOBKFHXSA-N |