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1289388-19-7 | Carbamic acid, N-[1-(4-chloro-5-methyl-2-pyrimidinyl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS No: 1289388-19-7 Catalog No: AG000YOB MDL No:
Product Description
Catalog Number:
AG000YOB
Chemical Name:
Carbamic acid, N-[1-(4-chloro-5-methyl-2-pyrimidinyl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
1289388-19-7
Molecular Formula:
C16H25ClN4O2
Molecular Weight:
340.8483
IUPAC Name:
tert-butyl N-[1-(4-chloro-5-methylpyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
InChI:
InChI=1S/C16H25ClN4O2/c1-11-9-18-14(19-13(11)17)21-8-6-7-12(10-21)20(5)15(22)23-16(2,3)4/h9,12H,6-8,10H2,1-5H3
InChI Key:
ZSQIPDRRNDMEOF-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)c1ncc(c(n1)Cl)C)C)OC(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.852g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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