Basic information
- Standard SMILES
CCCCc1nn(-c2ccccc2CO)c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
OULZCENACPAWKF-UHFFFAOYSA-N- Molecular formula
- C46H41N7O2
- Average molar mass
- 723.9 g/mol
Names & identifiers
- Preferred name
- 5-n-butyl-2,4-dihydro-2-[2-(hydroxymethyl)phenyl]-4-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one
- IUPAC
- 5-butyl-2-[2-(hydroxymethyl)phenyl]-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL9031487OULZCENACPAWKF-UHFFFAOYSA-N5-n-butyl-2,4-dihydro-2-[2-(hydroxymethyl)phenyl]-4-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 19939449
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
1 records
Compound notes
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