N-Fluorenylmethyloxycarbonyl-((carboxyethyl-2,4-dimethoxyphenyl)-4'-methoxyphenyl)methylamine
Basic information
- CAS
124504-68-3- Standard SMILES
COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2cc(CCC(=O)O)c(OC)cc2OC)cc1- InChIKey
WTTPLAYFFRIFQM-UHFFFAOYSA-N- Molecular formula
- C34H33NO7
- Average molar mass
- 567.6 g/mol
- Monoisotopic mass
- 567.22570239
Names & identifiers
- Preferred name
- N-Fluorenylmethyloxycarbonyl-((carboxyethyl-2,4-dimethoxyphenyl)-4'-methoxyphenyl)methylamine
- IUPAC
- 3-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)-(4-methoxyphenyl)methyl]-2,4-dimethoxyphenyl]propanoic acid
- English name
- N-fluorenylmethyloxycarbonyl-((carboxyethyl-2,4-dimethoxyphenyl)-4'-methoxyphenyl)methylamine
- Molecular formula
- C34H33NO7
- Molecular weight
- 567.63
Names & synonyms
TMBPA124504-68-3N-Fluorenylmethyloxycarbonyl-((carboxyethyl-2,4-dimethoxyphenyl)-4'-methoxyphenyl)methylamineRefChem:1633795-((((9H-Fluoren-9-ylmethoxy)carbonyl)amino)(4-methoxyphenyl)methyl)-2,4-dimethoxybenzenepropanoic acidSCHEMBL7867949DTXSID208915583-{5-[({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)(4-METHOXYPHENYL)METHYL]-2,4-DIMETHOXYPHENYL}PROPANOIC ACIDBenzenepropanoic acid, 5-((((9H-fluoren-9-ylmethoxy)carbonyl)amino)(4-methoxyphenyl)methyl)-2,4-dimethoxy-Benzenepropanoic acid, 5-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino](4-methoxyphenyl)methyl]-2,4-dimethoxy-
Database identifiers
- CAS
124504-68-3- PubChem CID
- 130201
- DTXSID
DTXSID20891558
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 854
Physicochemical properties
- Melting point
- 149 · 149-151 °C
- Boiling point
- 786.9 · 786.9±60.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
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Compound notes
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