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101607-45-8 | 2,8-Diazaspiro[4.5]decane-1,3-dione, 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-(hexahydro-1H-azepin-1-yl)-
CAS No: 101607-45-8 Catalog No: AG0004YE MDL No:
Product Description
Catalog Number:
AG0004YE
Chemical Name:
2,8-Diazaspiro[4.5]decane-1,3-dione, 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-(hexahydro-1H-azepin-1-yl)-
CAS Number:
101607-45-8
Molecular Formula:
C24H32FN3O3
Molecular Weight:
429.5276
IUPAC Name:
2-(azepan-1-yl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-2,8-diazaspiro[4.5]decane-1,3-dione
InChI:
InChI=1S/C24H32FN3O3/c25-20-9-7-19(8-10-20)21(29)6-5-13-26-16-11-24(12-17-26)18-22(30)28(23(24)31)27-14-3-1-2-4-15-27/h7-10H,1-6,11-18H2
InChI Key:
ALGMMJAQGMCYIY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)CC(=O)N(C2=O)N1CCCCCC1
NSC Number:
665773
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.243g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.536g/mol
Monoisotopic Mass:
429.243g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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