Basic information
- Standard SMILES
CCCc1nc(C(C)(C)O)c(C(=O)OC2OC(=O)c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1- InChIKey
MESQKQXKADRENE-UHFFFAOYSA-N- Molecular formula
- C32H30N6O5
- Average molar mass
- 578.6 g/mol
- Monoisotopic mass
- 578.22776808
Names & identifiers
- Preferred name
- Phthalidyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
- IUPAC
- (3-oxo-1H-2-benzofuran-1-yl) 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Names & synonyms
MESQKQXKADRENE-UHFFFAOYSA-NPhthalidyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
Database identifiers
- PubChem CID
- 10303639
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 976
Related reactions
3 records
Compound notes
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