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Home > Other Heterocycles > 24854-49-7
24854-49-7 | 1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-2-methyl-4-phenyl-
CAS No: 24854-49-7 Catalog No: AG002PNN MDL No:
Product Description
Catalog Number:
AG002PNN
Chemical Name:
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-2-methyl-4-phenyl-
CAS Number:
24854-49-7
Molecular Formula:
C23H24N2O4S
Molecular Weight:
424.5127
IUPAC Name:
8-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
InChI:
InChI=1S/C23H24N2O4S/c1-16-21(26)25(17-7-3-2-4-8-17)23(30-16)11-13-24(14-12-23)22(27)20-15-28-18-9-5-6-10-19(18)29-20/h2-10,16,20H,11-15H2,1H3
InChI Key:
HRMNLWXJKZQJRB-UHFFFAOYSA-N
SMILES:
O=C(C1COc2c(O1)cccc2)N1CCC2(CC1)SC(C(=O)N2c1ccccc1)C
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.146g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.515g/mol
Monoisotopic Mass:
424.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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