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1261235-58-8 | Carbamic acid, N-[[1-(4-chloro-5-methyl-2-pyrimidinyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1261235-58-8 Catalog No: AG000RPG MDL No:
Product Description
Catalog Number:
AG000RPG
Chemical Name:
Carbamic acid, N-[[1-(4-chloro-5-methyl-2-pyrimidinyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1261235-58-8
Molecular Formula:
C16H25ClN4O2
Molecular Weight:
340.8483
IUPAC Name:
tert-butyl N-[[1-(4-chloro-5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C16H25ClN4O2/c1-11-9-18-14(20-13(11)17)21-7-5-12(6-8-21)10-19-15(22)23-16(2,3)4/h9,12H,5-8,10H2,1-4H3,(H,19,22)
InChI Key:
AJTOADRLJLPDDF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)c1ncc(c(n1)Cl)C
Properties
Complexity:
394
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:
1
Isotope Atom Count:
0
Molecular Weight:
340.852g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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