Basic information
- Standard SMILES
CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)C(C(=O)OC)N(C(=O)CC(=O)OCC)CC2- InChIKey
OFPVXCXWCAVAOY-UHFFFAOYSA-N- Molecular formula
- C50H49N7O5
- Average molar mass
- 828 g/mol
Names & identifiers
- Preferred name
- methyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
- IUPAC
- methyl 2-butyl-5-(3-ethoxy-3-oxopropanoyl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxylate
Names & synonyms
methyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylatemethyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-{2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl}methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateSCHEMBL9043688OFPVXCXWCAVAOY-UHFFFAOYSA-Nmethyl 2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
Database identifiers
- PubChem CID
- 20076811
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
5 records
Compound notes
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