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Home > Bromides > 1056676-31-3
1056676-31-3 | tert-Butyl 4-[3-(4-bromophenyl)ureido]piperidine-1-carboxylate
CAS No: 1056676-31-3 Catalog No: AG01F648 MDL No:
Product Description
Catalog Number:
AG01F648
Chemical Name:
tert-Butyl 4-[3-(4-bromophenyl)ureido]piperidine-1-carboxylate
CAS Number:
1056676-31-3
Molecular Formula:
C17H24BrN3O3
Molecular Weight:
398.2948
IUPAC Name:
tert-butyl 4-[(4-bromophenyl)carbamoylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H24BrN3O3/c1-17(2,3)24-16(23)21-10-8-14(9-11-21)20-15(22)19-13-6-4-12(18)5-7-13/h4-7,14H,8-11H2,1-3H3,(H2,19,20,22)
InChI Key:
HTPGOLAOJSYUKE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.301g/mol
Monoisotopic Mass:
397.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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