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1632286-20-4 | Carbamic acid, N-[1-(3-bromophenyl)-1,4-dihydro-4-oxo-5-(phenylmethoxy)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1632286-20-4 Catalog No: AG001TWK MDL No:
Product Description
Catalog Number:
AG001TWK
Chemical Name:
Carbamic acid, N-[1-(3-bromophenyl)-1,4-dihydro-4-oxo-5-(phenylmethoxy)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1632286-20-4
Molecular Formula:
C23H23BrN2O4
Molecular Weight:
471.3437
IUPAC Name:
tert-butyl N-[1-(3-bromophenyl)-4-oxo-5-phenylmethoxypyridin-2-yl]carbamate
InChI:
InChI=1S/C23H23BrN2O4/c1-23(2,3)30-22(28)25-21-13-19(27)20(29-15-16-8-5-4-6-9-16)14-26(21)18-11-7-10-17(24)12-18/h4-14H,15H2,1-3H3,(H,25,28)
InChI Key:
VRJGYUDCPATVCD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(=O)c(cn1c1cccc(c1)Br)OCc1ccccc1
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.084g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
471.351g/mol
Monoisotopic Mass:
470.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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