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Home > Imidazoles > 864825-21-8
864825-21-8 | (S)-benzyl 1-(4-phenyl-1H-iMidazol-2-yl)ethylcarbaMate
CAS No: 864825-21-8 Catalog No: AG00GU87 MDL No:
Product Description
Catalog Number:
AG00GU87
Chemical Name:
(S)-benzyl 1-(4-phenyl-1H-iMidazol-2-yl)ethylcarbaMate
CAS Number:
864825-21-8
Molecular Formula:
C19H19N3O2
Molecular Weight:
321.3731
IUPAC Name:
benzyl N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
InChI:
InChI=1S/C19H19N3O2/c1-14(21-19(23)24-13-15-8-4-2-5-9-15)18-20-12-17(22-18)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChI Key:
IWDPWKLTLCLZLA-AWEZNQCLSA-N
SMILES:
O=C(N[C@H](c1[nH]cc(n1)c1ccccc1)C)OCc1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
321.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.38g/mol
Monoisotopic Mass:
321.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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