Basic information
- Standard SMILES
COC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2ccccc2-c2nnnn2Cc2ccc(OC)cc2)cc1)C(=O)OC(C)(C)C- InChIKey
NPTMVNDOFZUOLL-UHFFFAOYSA-N- Molecular formula
- C35H34N6O7
- Average molar mass
- 650.7 g/mol
Names & identifiers
- Preferred name
- methyl 2-((tert-butoxycarbonyl)((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]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-nitrobenzoate
Names & synonyms
1307853-69-5methyl 2-((tert-butoxycarbonyl)((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoatemethyl 2-{[(tert-butoxy)carbonyl][(2'-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}-[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoateSCHEMBL12098821NPTMVNDOFZUOLL-UHFFFAOYSA-Nmethyl 2-(N-tert-butoxycarbonyl-N-{(2'-[1-(p-methoxybenzyl)-1H-tetrazol-5-yl]biphenyl-4-yl)methyl}amino)-3-nitrobenzoate
Database identifiers
- PubChem CID
- 70664089
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
4 records
Compound notes
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