Basic information
- Standard SMILES
CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)Cc1ccccc1C(=O)O- InChIKey
GJNXGAJOWNCFHC-UHFFFAOYSA-N- Molecular formula
- C27H27N5O3
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.21138974
Names & identifiers
- Preferred name
- 2-carboxy-phenylacetic acid N-butyl-N-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amide
- IUPAC
- 2-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-oxoethyl]benzoic acid
Names & synonyms
SCHEMBL9429194GJNXGAJOWNCFHC-UHFFFAOYSA-N2-carboxy-phenylacetic acid N-butyl-N-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amide
Database identifiers
- PubChem CID
- 53841683
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 684
Related reactions
1 records
Compound notes
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