Basic information
- Standard SMILES
Cc1cc(Br)cc(C)c1C(=O)N1CCC(N2CCC[C@H]2COC(=O)c2ccccc2)CC1- InChIKey
LQQIFQVYRLVOHR-QHCPKHFHSA-N- Molecular formula
- C26H31BrN2O3
- Average molar mass
- 499.4 g/mol
Names & identifiers
- Preferred name
- benzoic acid (S)-1-[1-(4-bromo-2,6-dimethyl-benzoyl)-piperidin-4-yl]-pyrrolidin-2-ylmethyl ester
- IUPAC
- [(2S)-1-[1-(4-bromo-2,6-dimethylbenzoyl)piperidin-4-yl]pyrrolidin-2-yl]methyl benzoate
Names & synonyms
SCHEMBL1085180LQQIFQVYRLVOHR-QHCPKHFHSA-Nbenzoic acid (S)-1-[1-(4-bromo-2,6-dimethyl-benzoyl)-piperidin-4-yl]-pyrrolidin-2-ylmethyl ester
Database identifiers
- PubChem CID
- 66901569
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
Related reactions
1 records
Compound notes
Loading…