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Home > Other Heterocycles > 5691-14-5
5691-14-5 | rac-(1R,6R)-7-azabicyclo[4.2.0]octane
CAS No: 5691-14-5 Catalog No: AG01B237 MDL No:MFCD28506122
Product Description
Catalog Number:
AG01B237
Chemical Name:
rac-(1R,6R)-7-azabicyclo[4.2.0]octane
CAS Number:
5691-14-5
MDL Number:
MFCD28506122
IUPAC Name:
5-acetyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile
InChI:
InChI=1S/C27H28N2O2S/c1-5-19-7-11-21(12-8-19)24(31)16-32-27-23(15-28)26(25(18(4)30)17(3)29-27)22-13-9-20(6-2)10-14-22/h7-14,26,29H,5-6,16H2,1-4H3
InChI Key:
WRLVZBUUUVPCQE-UHFFFAOYSA-N
Properties
Complexity:
818
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.187g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.593g/mol
Monoisotopic Mass:
444.187g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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