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1289384-66-2 | Carbamic acid, N-[4-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1289384-66-2 Catalog No: AG000YJO MDL No:
Product Description
Catalog Number:
AG000YJO
Chemical Name:
Carbamic acid, N-[4-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1289384-66-2
Molecular Formula:
C16H25ClN4O2S
Molecular Weight:
372.9133
IUPAC Name:
tert-butyl N-[4-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]cyclohexyl]carbamate
InChI:
InChI=1S/C16H25ClN4O2S/c1-16(2,3)23-15(22)19-11-7-5-10(6-8-11)18-13-9-12(17)20-14(21-13)24-4/h9-11H,5-8H2,1-4H3,(H,19,22)(H,18,20,21)
InChI Key:
MYNNIICNGCOLGJ-UHFFFAOYSA-N
SMILES:
CSc1nc(NC2CCC(CC2)NC(=O)OC(C)(C)C)cc(n1)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.912g/mol
Monoisotopic Mass:
372.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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