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Home > Other Heterocycles > 24854-52-2
24854-52-2 | 1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-4-phenyl-, ethanedioate (1:1)
CAS No: 24854-52-2 Catalog No: AG002PNM MDL No:
Product Description
Catalog Number:
AG002PNM
Chemical Name:
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-4-phenyl-, ethanedioate (1:1)
CAS Number:
24854-52-2
Molecular Formula:
C25H28N2O7S
Molecular Weight:
500.5640
IUPAC Name:
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;oxalic acid
InChI:
InChI=1S/C23H26N2O3S.C2H2O4/c1-17-22(26)25(18-7-3-2-4-8-18)23(29-17)11-13-24(14-12-23)15-19-16-27-20-9-5-6-10-21(20)28-19;3-1(4)2(5)6/h2-10,17,19H,11-16H2,1H3;(H,3,4)(H,5,6)
InChI Key:
OAYZUTXIGINWER-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CC1SC2(N(C1=O)c1ccccc1)CCN(CC2)CC1COc2c(O1)cccc2
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.162g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
500.566g/mol
Monoisotopic Mass:
500.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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