2-methoxy-1-[rel-(3aR,7aR)-2-[(5-methylthiophen-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[rel-(3aR,7aR)-2-[(5-methylthiophen-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-methoxy-1-[rel-(3aR,7aR)-2-[(5-methylthiophen-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-0726 |
| Compound Name: | 2-methoxy-1-[rel-(3aR,7aR)-2-[(5-methylthiophen-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C19 H27 N5 O2 S |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(Cc3ccc(C)s3)C2)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2484 |
| logD: | -3.1253 |
| logSw: | -2.2073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.098 |
| InChI Key: | LDOGIRWAJKPAGY-DNVCBOLYSA-N |