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89472-83-3 | Urea, N-bicyclo[2.2.1]hept-2-yl-N-[(4-bromophenyl)methyl]-N'-propyl-
CAS No: 89472-83-3 Catalog No: AG00426V MDL No:
Product Description
Catalog Number:
AG00426V
Chemical Name:
Urea, N-bicyclo[2.2.1]hept-2-yl-N-[(4-bromophenyl)methyl]-N'-propyl-
CAS Number:
89472-83-3
Molecular Formula:
C18H25BrN2O
Molecular Weight:
365.3079
IUPAC Name:
1-(2-bicyclo[2.2.1]heptanyl)-1-[(4-bromophenyl)methyl]-3-propylurea
InChI:
InChI=1S/C18H25BrN2O/c1-2-9-20-18(22)21(12-13-4-7-16(19)8-5-13)17-11-14-3-6-15(17)10-14/h4-5,7-8,14-15,17H,2-3,6,9-12H2,1H3,(H,20,22)
InChI Key:
XZDROFQSNPKJIO-UHFFFAOYSA-N
SMILES:
CCCNC(=O)N(C1CC2CC1CC2)Cc1ccc(cc1)Br
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.315g/mol
Monoisotopic Mass:
364.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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