L-163491
Basic information
- CAS
170969-73-0- Standard SMILES
CCCCOC(=O)NS(=O)(=O)c1ccc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1- InChIKey
SRCIRAKBWHTYIX-UHFFFAOYSA-N- Molecular formula
- C36H40N4O5S
- Average molar mass
- 640.8 g/mol
- Monoisotopic mass
- 640.27194156
Overview
structure given in first source
Names & identifiers
- Preferred name
- L-163491
- IUPAC
- butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylcarbamate
Names & synonyms
L-163491ZF8TN281W9170969-73-0L 163491L-163,491DTXSID4013372485,7-Dimethyl-2-ethyl-3-((2'-((butyloxycarbonyl) aminosulfonyl)-5'-(3-methyoxybenzyl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridineCarbamic acid, ((4'-((2-ethyl-5,7-dimethyl-3H-imidazo(4,5-b)pyridin-3-yl)methyl)-5-((3-methoxyphenyl)methyl)(1,1'-biphenyl)-2-yl)sulfonyl)-, butyl esterRefChem:151740DTXCID201767639L 163,491UNII-ZF8TN281W9
Show more names
CHEMBL290214orb1739224SCHEMBL21125275SCHEMBL29472409SCHEMBL29726903BDBM503691835,7-Dimethyl-2-ethyl-3-[[2a(2)-([butyloxycarbonyl) aminosulfonyl]-5a(2)-(3-methyoxybenzyl)-[1,1a(2)-biphenyl]-4-yl]methyl]-3H-imidazo[4,5-b]pyridinebutyl (4'-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-5-(3-methoxybenzyl)-[1,1'-biphenyl]-2-yl)sulfonylcarbamate
Database identifiers
- CAS
170969-73-0- PubChem CID
- 9852384
- DTXSID
DTXSID401337248- ChEMBL
CHEMBL290214- UNII
- ZF8TN281W9
- Nikkaji
- J696.642J
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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