methyl 2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate

HCID 69916865

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

Related reactions

4 records

Compound notes

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