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Home > Other Heterocycles > 1820574-76-2
1820574-76-2 | (1S,6R)-3-Boc-7-[(R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane
CAS No: 1820574-76-2 Catalog No: AG00I0DH MDL No:MFCD26404524
Product Description
Catalog Number:
AG00I0DH
Chemical Name:
(1S,6R)-3-Boc-7-[(R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane
CAS Number:
1820574-76-2
Molecular Formula:
C19H28N2O2
Molecular Weight:
316.4378
MDL Number:
MFCD26404524
IUPAC Name:
tert-butyl (1S,6R)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
InChI:
InChI=1S/C19H28N2O2/c1-14(15-8-6-5-7-9-15)21-13-16-12-20(11-10-17(16)21)18(22)23-19(2,3)4/h5-9,14,16-17H,10-13H2,1-4H3/t14-,16-,17-/m1/s1
InChI Key:
SCBZIRLPWKMXGG-DJIMGWMZSA-N
SMILES:
O=C(N1CC[C@@H]2[C@H](C1)CN2[C@@H](c1ccccc1)C)OC(C)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
316.215g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.445g/mol
Monoisotopic Mass:
316.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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