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303162-30-3 | Carbamic acid, [4-[2-(4-methoxyphenyl)-2-oxoethyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 303162-30-3 Catalog No: AG002ZO8 MDL No:
Product Description
Catalog Number:
AG002ZO8
Chemical Name:
Carbamic acid, [4-[2-(4-methoxyphenyl)-2-oxoethyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
303162-30-3
Molecular Formula:
C19H22N2O4
Molecular Weight:
342.3890
IUPAC Name:
tert-butyl 3-amino-4-[2-(4-methoxyphenyl)-2-oxoethyl]pyridine-2-carboxylate
InChI:
InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)17-16(20)13(9-10-21-17)11-15(22)12-5-7-14(24-4)8-6-12/h5-10H,11,20H2,1-4H3
InChI Key:
XKPOBJJLSWCIBN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Cc1ccnc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.395g/mol
Monoisotopic Mass:
342.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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