Basic information
- Standard SMILES
COc1ccc(-c2ccc(CCc3nnn[nH]3)n2-c2ccc(C(=O)O)cc2C)cc1- InChIKey
LOQFYBZHOPDIKF-UHFFFAOYSA-N- Molecular formula
- C22H21N5O3
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.16443955
Names & identifiers
- Preferred name
- 4-(2-(2-(1H-tetrazol-5-yl)ethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl)-3-methylbenzoic acid
- IUPAC
- 4-[2-(4-methoxyphenyl)-5-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-1-yl]-3-methylbenzoic acid
Names & synonyms
SCHEMBL1904873LOQFYBZHOPDIKF-UHFFFAOYSA-N4-(2-(2-(1H-tetrazol-5-yl)ethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl)-3-methylbenzoic acid
Database identifiers
- PubChem CID
- 67206639
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 571
Related reactions
3 records
Compound notes
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