[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SB47-0643 |
| Compound Name: | [rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C23 H29 N7 O |
| Smiles: | CC(C)n1cc(CN2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5087 |
| logD: | -8.593 |
| logSw: | -1.8791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.173 |
| InChI Key: | UCVKUJVTMZPKSA-OFNKIYASSA-N |