1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SB23-0960 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)C(CCCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.729 |
| logD: | 2.7285 |
| logSw: | -2.9868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.823 |
| InChI Key: | MHRJZUDNFBUAGD-GBXCKJPGSA-N |