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Home > Aldehydes > 120568-18-5
120568-18-5 | N-Trityl Losartan Carboxaldehyde
CAS No: 120568-18-5 Catalog No: AG007PUQ MDL No:
Product Description
Catalog Number:
AG007PUQ
Chemical Name:
N-Trityl Losartan Carboxaldehyde
CAS Number:
120568-18-5
Molecular Formula:
C41H35ClN6O
Molecular Weight:
663.2092
IUPAC Name:
2-butyl-5-chloro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
InChI:
InChI=1S/C41H35ClN6O/c1-2-3-23-38-43-39(42)37(29-49)47(38)28-30-24-26-31(27-25-30)35-21-13-14-22-36(35)40-44-45-46-48(40)41(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-22,24-27,29H,2-3,23,28H2,1H3
InChI Key:
YMCPYGMMJJBRHX-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C=O)Cl
Properties
Complexity:
960
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.256g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
663.222g/mol
Monoisotopic Mass:
662.256g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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