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84184-25-8 | 1H-Imidazole-2-carboxylicacid,1-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-,hexyl ester
CAS No: 84184-25-8 Catalog No: AG004RZ0 MDL No:
Product Description
Catalog Number:
AG004RZ0
Chemical Name:
1H-Imidazole-2-carboxylicacid,1-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-,hexyl ester
CAS Number:
84184-25-8
Molecular Formula:
C43H61ClN4O6
Molecular Weight:
765.4206
IUPAC Name:
hexyl 1-[1-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]imidazole-2-carboxylate
InChI:
InChI=1S/C43H61ClN4O6/c1-11-14-15-16-25-54-40(52)38-45-23-24-48(38)36(37(50)41(4,5)6)39(51)47-33-28-30(20-21-32(33)44)46-35(49)18-17-26-53-34-22-19-29(42(7,8)12-2)27-31(34)43(9,10)13-3/h19-24,27-28,36H,11-18,25-26H2,1-10H3,(H,46,49)(H,47,51)
InChI Key:
YXMNDOWIJULDOX-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1nccn1C(C(=O)C(C)(C)C)C(=O)Nc1cc(ccc1Cl)NC(=O)CCCOc1ccc(cc1C(CC)(C)C)C(CC)(C)C
EC Number:
282-350-6
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
764.428g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
765.433g/mol
Monoisotopic Mass:
764.428g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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