[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | S988-0922 |
| Compound Name: | [rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | Cc1c(CN2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C(c2ccccc2)=O)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.919 |
| logD: | -2.5119 |
| logSw: | -2.3323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.309 |
| InChI Key: | CKMPQJYSFDKCLI-UTKZUKDTSA-N |