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116678-88-7 | Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester, mixt. with 1-methylethyl N-(3,4-diethoxyphenyl)carbamate
CAS No: 116678-88-7 Catalog No: AG000CZ7 MDL No:
Product Description
Catalog Number:
AG000CZ7
Chemical Name:
Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester, mixt. with 1-methylethyl N-(3,4-diethoxyphenyl)carbamate
CAS Number:
116678-88-7
Molecular Formula:
C23H30N4O6
Molecular Weight:
458.5075
IUPAC Name:
(3,4-diethoxyphenyl)-propan-2-ylcarbamic acid;methyl N-(1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C14H21NO4.C9H9N3O2/c1-5-18-12-8-7-11(9-13(12)19-6-2)15(10(3)4)14(16)17;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h7-10H,5-6H2,1-4H3,(H,16,17);2-5H,1H3,(H2,10,11,12,13)
InChI Key:
PEFZEGAWJLXICD-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c([nH]1)cccc2.CCOc1ccc(cc1OCC)N(C(=O)O)C(C)C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.217g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
458.515g/mol
Monoisotopic Mass:
458.217g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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