Home Halogens methyl (1-(2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

methyl (1-(2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

CAS No.:
1615221-96-9
Catalog Number:
AG01DGKL
Molecular Formula:
C20H25BrN4O3
Molecular Weight:
449.3415
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Product Description
Catalog Number:
AG01DGKL
Chemical Name:
methyl (1-(2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
CAS Number:
1615221-96-9
Molecular Formula:
C20H25BrN4O3
Molecular Weight:
449.3415
MDL Number:
MFCD31568163
IUPAC Name:
methyl N-[1-[2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C20H25BrN4O3/c1-12(2)17(24-20(27)28-3)19(26)25-10-4-5-16(25)18-22-11-15(23-18)13-6-8-14(21)9-7-13/h6-9,11-12,16-17H,4-5,10H2,1-3H3,(H,22,23)(H,24,27)
InChI Key:
TZHRRTXGQGGNBM-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C(=O)N1CCCC1c1[nH]cc(n1)c1ccc(cc1)Br)C(C)C
Properties
Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.111g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
449.349g/mol
Monoisotopic Mass:
448.111g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties