[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SB47-0631 |
| Compound Name: | [rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | Cc1c(CN2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5365 |
| logD: | -4.775 |
| logSw: | -2.0257 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.249 |
| InChI Key: | QCCANCLEBKKBIW-GCJKJVERSA-N |