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102504-89-2 | 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(2,3-dihydro-3-methyl-1,4-benzodioxin-2-yl)methyl]-3-methyl-1-phenyl-
CAS No: 102504-89-2 Catalog No: AG0007MB MDL No:
Product Description
Catalog Number:
AG0007MB
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(2,3-dihydro-3-methyl-1,4-benzodioxin-2-yl)methyl]-3-methyl-1-phenyl-
CAS Number:
102504-89-2
Molecular Formula:
C24H29N3O3
Molecular Weight:
407.5054
IUPAC Name:
3-methyl-8-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C24H29N3O3/c1-18-22(30-21-11-7-6-10-20(21)29-18)16-26-14-12-24(13-15-26)23(28)25(2)17-27(24)19-8-4-3-5-9-19/h3-11,18,22H,12-17H2,1-2H3
InChI Key:
XCURAXQEILSZCX-UHFFFAOYSA-N
SMILES:
CC1Oc2ccccc2OC1CN1CCC2(CC1)N(CN(C2=O)C)c1ccccc1
NSC Number:
167694
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.221g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.514g/mol
Monoisotopic Mass:
407.221g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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