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1026042-12-5 | 1H-Benzimidazole-7-carboxylic acid, 2-methoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester
CAS No: 1026042-12-5 Catalog No: AG0007WB MDL No:
Product Description
Catalog Number:
AG0007WB
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 2-methoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester
CAS Number:
1026042-12-5
Molecular Formula:
C32H32N6O6
Molecular Weight:
596.6331
IUPAC Name:
1-cyclohexyloxycarbonyloxyethyl 2-methoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
InChI:
InChI=1S/C32H32N6O6/c1-20(43-32(40)44-23-9-4-3-5-10-23)42-30(39)26-13-8-14-27-28(26)38(31(33-27)41-2)19-21-15-17-22(18-16-21)24-11-6-7-12-25(24)29-34-36-37-35-29/h6-8,11-18,20,23H,3-5,9-10,19H2,1-2H3,(H,34,35,36,37)
InChI Key:
ICNSKCNGTUJNOH-UHFFFAOYSA-N
SMILES:
COc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
Properties
Complexity:
946
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.238g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
596.644g/mol
Monoisotopic Mass:
596.238g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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