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Home > Other Heterocycles > 1101869-79-7
1101869-79-7 | N-BOC-3-(8-AZA-BICYCLO[3.2.1]OCTAN-3-YL)BENZAMIDE
CAS No: 1101869-79-7 Catalog No: AG00HBOX MDL No:MFCD28133428
Product Description
Catalog Number:
AG00HBOX
Chemical Name:
N-BOC-3-(8-AZA-BICYCLO[3.2.1]OCTAN-3-YL)BENZAMIDE
CAS Number:
1101869-79-7
Molecular Formula:
C19H24N2O3
Molecular Weight:
328.4055
MDL Number:
MFCD28133428
IUPAC Name:
tert-butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
InChI:
InChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)21-15-7-8-16(21)11-14(10-15)12-5-4-6-13(9-12)17(20)22/h4-6,9-10,15-16H,7-8,11H2,1-3H3,(H2,20,22)
InChI Key:
BIINFZWKXXYZNH-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCC1C=C(C2)c1cccc(c1)C(=O)N)OC(C)(C)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.412g/mol
Monoisotopic Mass:
328.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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