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129005-99-8 | Methanone, (4-chlorophenyl)[7-(1-methylethyl)-3,7-diazabicyclo[3.3.1]non-3-yl]-
CAS No: 129005-99-8 Catalog No: AG000YS6 MDL No:
Product Description
Catalog Number:
AG000YS6
Chemical Name:
Methanone, (4-chlorophenyl)[7-(1-methylethyl)-3,7-diazabicyclo[3.3.1]non-3-yl]-
CAS Number:
129005-99-8
Molecular Formula:
C17H23ClN2O
Molecular Weight:
306.8303
IUPAC Name:
(4-chlorophenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
InChI:
InChI=1S/C17H23ClN2O/c1-12(2)19-8-13-7-14(9-19)11-20(10-13)17(21)15-3-5-16(18)6-4-15/h3-6,12-14H,7-11H2,1-2H3
InChI Key:
FTABKDGWKNKXQJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)N1CC2CC(C1)CN(C2)C(C)C
NSC Number:
644247
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.15g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.834g/mol
Monoisotopic Mass:
306.15g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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