Basic information
- Standard SMILES
CC(C)OCc1nc(C(C)(C)O)c(C(=O)OC(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1- InChIKey
OJHUVVVDUYHMSK-UHFFFAOYSA-N- Molecular formula
- C28H34N6O4
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.26415359
Names & identifiers
- Preferred name
- Isopropyl 4-(1-hydroxy-1-methylethyl)-2-isopropoxymethyl-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
- IUPAC
- propan-2-yl 5-(2-hydroxypropan-2-yl)-2-(propan-2-yloxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Names & synonyms
SCHEMBL7878400OJHUVVVDUYHMSK-UHFFFAOYSA-NIsopropyl 4-(1-hydroxy-1-methylethyl)-2-isopropoxymethyl-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
Database identifiers
- PubChem CID
- 19036202
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 760
Related reactions
6 records
Compound notes
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