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79449-99-3 | 1,3,8-Triazaspiro[4.5]decane-3-acetamide,8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-, cis- (9CI)
CAS No: 79449-99-3 Catalog No: AG0051U0 MDL No:
Product Description
Catalog Number:
AG0051U0
Chemical Name:
1,3,8-Triazaspiro[4.5]decane-3-acetamide,8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-, cis- (9CI)
CAS Number:
79449-99-3
Molecular Formula:
C28H31F2N5O2
Molecular Weight:
507.5748
IUPAC Name:
2-[8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
InChI:
InChI=1S/C28H31F2N5O2/c29-21-3-1-20(2-4-21)27(18-31)11-9-23(10-12-27)33-15-13-28(14-16-33)26(37)34(17-25(32)36)19-35(28)24-7-5-22(30)6-8-24/h1-8,23H,9-17,19H2,(H2,32,36)
InChI Key:
HVWIHGNIDIIREZ-UHFFFAOYSA-N
SMILES:
N#CC1(CCC(CC1)N1CCC2(CC1)N(CN(C2=O)CC(=O)N)c1ccc(cc1)F)c1ccc(cc1)F
EC Number:
279-161-6
UNII:
H0N246YG4Y
Properties
Complexity:
890
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.245g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
507.586g/mol
Monoisotopic Mass:
507.245g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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