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1289384-85-5 | Carbamic acid, N-[4-[[2-(methylthio)-4-pyrimidinyl]amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1289384-85-5 Catalog No: AG000YKT MDL No:
Product Description
Catalog Number:
AG000YKT
Chemical Name:
Carbamic acid, N-[4-[[2-(methylthio)-4-pyrimidinyl]amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1289384-85-5
Molecular Formula:
C16H26N4O2S
Molecular Weight:
338.4682
IUPAC Name:
tert-butyl N-[4-[(2-methylsulfanylpyrimidin-4-yl)amino]cyclohexyl]carbamate
InChI:
InChI=1S/C16H26N4O2S/c1-16(2,3)22-15(21)19-12-7-5-11(6-8-12)18-13-9-10-17-14(20-13)23-4/h9-12H,5-8H2,1-4H3,(H,19,21)(H,17,18,20)
InChI Key:
PAWZEWNWTGKJCN-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)NC1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
381
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:
2
Isotope Atom Count:
0
Molecular Weight:
338.47g/mol
Monoisotopic Mass:
338.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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