RefChem:237705
3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;oxalic acid
Also Known As: 1H-Cyclohepta(b)pyridine-1-propanamide, N-(2-chloro-6-methylphenyl)decahydro-, trans-, ethanedioate (1:1)|3-[(1R,7S)-8-azabicyclo[5.4.0]undec-8-yl]-N-(2-chloro-6-methyl-phenyl)propanamide; Oxalic Acid|3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide; oxalic acid|Oxalic acid--N-(2-chloro-6-methylphenyl)-3-[(4aR,9aS)-decahydro-1H-cyclohepta[b]pyridin-1-yl]propanamide (1/1)
| Molecular Formula | C22H31ClN2O5 |
|---|---|
| Molecular Weight | 438.19214 g/mol |
| LogP | 4.17732 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.19214 |
| Monoisotopic Mass | 438.19214 |
| Heavy Atoms | 30 |
| Complexity | 722.79346 |
Chemical Identifiers
| CAS Number | 41920-90-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCCCC3.C(=O)(C(=O)O)O |
Product Overview
RefChem:237705 (CAS 41920-90-5), with molecular formula C22H31ClN2O5 and molecular weight 438.19214 g/mol. IUPAC: 3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;oxalic acid.
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