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102395-58-4

102395-58-4 | 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-methyl-1-phenyl-

CAS No: 102395-58-4 Catalog No: AG0007CM MDL No:

Product Description

Catalog Number:
AG0007CM
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-methyl-1-phenyl-
CAS Number:
102395-58-4
Molecular Formula:
C25H31N3O4
Molecular Weight:
437.5313
IUPAC Name:
8-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C25H31N3O4/c1-3-30-21-10-7-11-22-23(21)32-20(17-31-22)16-27-14-12-25(13-15-27)24(29)26(2)18-28(25)19-8-5-4-6-9-19/h4-11,20H,3,12-18H2,1-2H3
InChI Key:
NBYVLVDHGYDMRH-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1OC(CO2)CN1CCC2(CC1)C(=O)N(CN2c1ccccc1)C

Properties

Complexity:
647  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.231g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.54g/mol
Monoisotopic Mass:
437.231g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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