Basic information
- Standard SMILES
COC(=O)c1cccc(OC(=O)N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3cccc(F)c3)C2)c1- InChIKey
RFLLGWXIPJFHSH-XIDDENBHSA-N- Molecular formula
- C38H41FN2O6
- Average molar mass
- 640.7 g/mol
- Monoisotopic mass
- 640.29486519
Names & identifiers
- Preferred name
- 3-(methoxycarbonyl)phenyl 4-({(tert-butoxycarbonyl)[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-3-(3-fluorophenyl)piperidine-1-carboxylate
- IUPAC
- (3-methoxycarbonylphenyl) 3-(3-fluorophenyl)-4-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1096420RFLLGWXIPJFHSH-XIDDENBHSA-N3-(methoxycarbonyl)phenyl 4-({(tert-butoxycarbonyl)[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-3-(3-fluorophenyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 66906167
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
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