Basic information
- Standard SMILES
COC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2-c2nnnn2Cc2ccc(OC)cc2)cc1- InChIKey
UDWVMOHRRTWQAP-UHFFFAOYSA-N- Molecular formula
- C30H26N6O5
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.19646795
Names & identifiers
- Preferred name
- methyl 2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate
- IUPAC
- methyl 2-[[4-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]phenyl]methylamino]-3-nitrobenzoate
Names & synonyms
1307853-71-9methyl 2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoatemethyl 2-{[(2'-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}-[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoateSCHEMBL6850504UDWVMOHRRTWQAP-UHFFFAOYSA-Nmethyl 2-[({2'-[1-(p-methoxybenzyl)-1H-tetrazol-5-yl]biphenyl-4-yl}methyl)amino]-3-nitrobenzoate
Database identifiers
- PubChem CID
- 69916865
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 844
Related reactions
4 records
Compound notes
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