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1566649-44-2 | Benzyl N-[3-(benzyloxycarbonylamino)-1-bicyclo[1.1.1]pentanyl]carbamate
CAS No: 1566649-44-2 Catalog No: AG001OVP MDL No:MFCD28100843
Product Description
Catalog Number:
AG001OVP
Chemical Name:
Benzyl N-[3-(benzyloxycarbonylamino)-1-bicyclo[1.1.1]pentanyl]carbamate
CAS Number:
1566649-44-2
Molecular Formula:
C21H22N2O4
Molecular Weight:
366.4104
MDL Number:
MFCD28100843
IUPAC Name:
benzyl N-[3-(phenylmethoxycarbonylamino)-1-bicyclo[1.1.1]pentanyl]carbamate
InChI:
InChI=1S/C21H22N2O4/c24-18(26-11-16-7-3-1-4-8-16)22-20-13-21(14-20,15-20)23-19(25)27-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,24)(H,23,25)
InChI Key:
KEHKSWQXSDXEPB-UHFFFAOYSA-N
SMILES:
O=C(NC12CC(C1)(C2)NC(=O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.417g/mol
Monoisotopic Mass:
366.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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