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102395-59-5 | 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-
CAS No: 102395-59-5 Catalog No: AG0007CL MDL No:
Product Description
Catalog Number:
AG0007CL
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-
CAS Number:
102395-59-5
Molecular Formula:
C24H29N3O4
Molecular Weight:
423.5048
IUPAC Name:
8-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C24H29N3O4/c1-2-29-20-9-6-10-21-22(20)31-19(16-30-21)15-26-13-11-24(12-14-26)23(28)25-17-27(24)18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3,(H,25,28)
InChI Key:
SGYOPRMRWBLBLQ-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1OC(CO2)CN1CCC2(CC1)C(=O)NCN2c1ccccc1
NSC Number:
167811
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.216g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.513g/mol
Monoisotopic Mass:
423.216g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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