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1000207-52-2 | 1-Piperidinecarboxylic acid, 4-[(2-chloro-6,7-dihydro-5H-cyclopentapyrimidin-4-yl)amino]-, 1,1-dimethylethyl ester
CAS No: 1000207-52-2 Catalog No: AG0000AT MDL No:MFCD28053709
Product Description
Catalog Number:
AG0000AT
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(2-chloro-6,7-dihydro-5H-cyclopentapyrimidin-4-yl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1000207-52-2
Molecular Formula:
C17H25ClN4O2
Molecular Weight:
352.8590
MDL Number:
MFCD28053709
IUPAC Name:
tert-butyl 4-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25ClN4O2/c1-17(2,3)24-16(23)22-9-7-11(8-10-22)19-14-12-5-4-6-13(12)20-15(18)21-14/h11H,4-10H2,1-3H3,(H,19,20,21)
InChI Key:
UZLCQUCIVGMPHU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Nc1nc(Cl)nc2c1CCC2)OC(C)(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.167g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.863g/mol
Monoisotopic Mass:
352.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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