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Home > Other Heterocycles > 24868-62-0
24868-62-0 | 1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-, (2Z)-2-butenedioate (1:1)
CAS No: 24868-62-0 Catalog No: AG002PPN MDL No:
Product Description
Catalog Number:
AG002PPN
Chemical Name:
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-, (2Z)-2-butenedioate (1:1)
CAS Number:
24868-62-0
Molecular Formula:
C20H24N2O7S
Molecular Weight:
436.4788
IUPAC Name:
(Z)-but-2-enedioic acid;8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
InChI:
InChI=1S/C16H20N2O3S.C4H4O4/c19-15-11-22-16(17-15)5-7-18(8-6-16)9-12-10-20-13-3-1-2-4-14(13)21-12;5-3(6)1-2-4(7)8/h1-4,12H,5-11H2,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
RZARKILFIUVZPH-BTJKTKAUSA-N
SMILES:
O=C1CSC2(N1)CCN(CC2)CC1COc2c(O1)cccc2.OC(=O)/C=C\C(=O)O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
436.13g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
436.479g/mol
Monoisotopic Mass:
436.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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