[rel-(3aR,6aR)-2-(2,3-dimethoxybenzoyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-2-(2,3-dimethoxybenzoyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
[rel-(3aR,6aR)-2-(2,3-dimethoxybenzoyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S984-1429 |
| Compound Name: | [rel-(3aR,6aR)-2-(2,3-dimethoxybenzoyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C21 H29 N3 O4 |
| Smiles: | CN1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2436 |
| logD: | -4.314 |
| logSw: | -2.1489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.111 |
| InChI Key: | WWLFLKVNTPIQLM-VFNWGFHPSA-N |