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1289387-46-7 | Carbamic acid, N-[trans-4-[(6-chloro-4-pyrimidinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-46-7 Catalog No: AG000YNP MDL No:MFCD18837642
Product Description
Catalog Number:
AG000YNP
Chemical Name:
Carbamic acid, N-[trans-4-[(6-chloro-4-pyrimidinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-46-7
Molecular Formula:
C15H23ClN4O2
Molecular Weight:
326.8217
MDL Number:
MFCD18837642
IUPAC Name:
tert-butyl N-[4-[(6-chloropyrimidin-4-yl)amino]cyclohexyl]carbamate
InChI:
InChI=1S/C15H23ClN4O2/c1-15(2,3)22-14(21)20-11-6-4-10(5-7-11)19-13-8-12(16)17-9-18-13/h8-11H,4-7H2,1-3H3,(H,20,21)(H,17,18,19)
InChI Key:
MPJCXAXEFIFZMS-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)N[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.825g/mol
Monoisotopic Mass:
326.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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