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Home > Imidazoles > 1993394-57-2
1993394-57-2 | Carbamic acid, [(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-, phenylmethyl ester oxalate
CAS No: 1993394-57-2 Catalog No: AG00IM5P MDL No:
Product Description
Catalog Number:
AG00IM5P
Chemical Name:
Carbamic acid, [(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-, phenylmethyl ester oxalate
CAS Number:
1993394-57-2
Molecular Formula:
C21H21N3O6
Molecular Weight:
411.4079
IUPAC Name:
benzyl N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;oxalic acid
InChI:
InChI=1S/C19H19N3O2.C2H2O4/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;3-1(4)2(5)6/h2-12,14H,13H2,1H3,(H,20,22)(H,21,23);(H,3,4)(H,5,6)/t14-;/m0./s1
InChI Key:
FQGDDZNJNSCGDB-UQKRIMTDSA-N
SMILES:
OC(=O)C(=O)O.O=C(N[C@H](c1[nH]cc(n1)c1ccccc1)C)OCc1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
411.143g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
411.414g/mol
Monoisotopic Mass:
411.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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