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1261232-35-2 | Carbamic acid, N-methyl-N-[1-[2-(methylthio)-4-pyrimidinyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1261232-35-2 Catalog No: AG000ROQ MDL No:MFCD18380110
Product Description
Catalog Number:
AG000ROQ
Chemical Name:
Carbamic acid, N-methyl-N-[1-[2-(methylthio)-4-pyrimidinyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1261232-35-2
Molecular Formula:
C16H26N4O2S
Molecular Weight:
338.4682
MDL Number:
MFCD18380110
IUPAC Name:
tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C16H26N4O2S/c1-16(2,3)22-15(21)19(4)12-7-10-20(11-8-12)13-6-9-17-14(18-13)23-5/h6,9,12H,7-8,10-11H2,1-5H3
InChI Key:
ZBXLBMFOEVUJAY-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)N1CCC(CC1)N(C(=O)OC(C)(C)C)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:
338.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.47g/mol
Monoisotopic Mass:
338.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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