[rel-(3aR,6aR)-2-(isoquinoline-1-carbonyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-2-(isoquinoline-1-carbonyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
[rel-(3aR,6aR)-2-(isoquinoline-1-carbonyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S985-0027 |
| Compound Name: | [rel-(3aR,6aR)-2-(isoquinoline-1-carbonyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C22 H26 N4 O2 |
| Smiles: | CN1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5588 |
| logD: | -3.9987 |
| logSw: | -2.1461 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.311 |
| InChI Key: | RFRBALBSFJHPHE-VGSWGCGISA-N |