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1289386-35-1 | 1-Piperidinecarboxylic acid, 4-[[2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]oxy]-6-methyl-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester
CAS No: 1289386-35-1 Catalog No: AG000YM6 MDL No:
Product Description
Catalog Number:
AG000YM6
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]oxy]-6-methyl-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester
CAS Number:
1289386-35-1
Molecular Formula:
C25H40N4O6
Molecular Weight:
492.6083
IUPAC Name:
tert-butyl 4-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
InChI:
InChI=1S/C25H40N4O6/c1-17-16-20(32-18-8-12-28(13-9-18)22(30)34-24(2,3)4)27-21(26-17)33-19-10-14-29(15-11-19)23(31)35-25(5,6)7/h16,18-19H,8-15H2,1-7H3
InChI Key:
NRBWQIIJRBKUCD-UHFFFAOYSA-N
SMILES:
Cc1cc(OC2CCN(CC2)C(=O)OC(C)(C)C)nc(n1)OC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.295g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.617g/mol
Monoisotopic Mass:
492.295g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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