Basic information
- CAS
28570-58-3- Standard SMILES
CCCCOC(=O)c1ccc(-n2nc(OCc3ccccc3)c3ccccc32)cc1- InChIKey
KFHOWWCLCYDJJC-UHFFFAOYSA-N- Molecular formula
- C25H24N2O3
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.17869263
Names & identifiers
- Preferred name
- Benzoic acid, p-(3-(benzyloxy)-1H-indazol-1-yl)-, butyl ester
- IUPAC
- butyl 4-(3-phenylmethoxyindazol-1-yl)benzoate
- English name
- p-(3-Benzyloxy-1H-indazol-1-yl)benzoic acid butyl ester
- Molecular weight
- 0
Names & synonyms
ITF 63628570-58-3BRN 0857368BENZOIC ACID, p-(3-(BENZYLOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTERp-(3-(Benzoyloxy)-1H-indazol-1-yl)benzoic acid butyl esterDTXSID001827795-23-11-00252 (Beilstein Handbook Reference)RefChem:327829DTXCID90105270butyl 4-[3-(benzyloxy)-1H-indazol-1-yl]benzoateITF-636p-(3-Benzyloxy-1H-indazol-1-yl)benzoic acid butyl ester
Database identifiers
- CAS
28570-58-3- PubChem CID
- 34282
- DTXSID
DTXSID00182779- Nikkaji
- J73.861A
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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