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Home > Other Heterocycles > 102395-43-7
102395-43-7 | 1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-3-(2-propen-1-yl)-8-[3-[2-(2-thienyl)-1,3-dioxolan-2-yl]propyl]-, (2E)-2-butenedioate (1:1)
CAS No: 102395-43-7 Catalog No: AG0007BJ MDL No:
Product Description
Catalog Number:
AG0007BJ
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-3-(2-propen-1-yl)-8-[3-[2-(2-thienyl)-1,3-dioxolan-2-yl]propyl]-, (2E)-2-butenedioate (1:1)
CAS Number:
102395-43-7
Molecular Formula:
C30H37N3O7S
Molecular Weight:
583.6957
IUPAC Name:
(E)-but-2-enedioic acid;1-phenyl-3-prop-2-enyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C26H33N3O3S.C4H4O4/c1-2-14-28-21-29(22-8-4-3-5-9-22)25(24(28)30)12-16-27(17-13-25)15-7-11-26(31-18-19-32-26)23-10-6-20-33-23;5-3(6)1-2-4(7)8/h2-6,8-10,20H,1,7,11-19,21H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI Key:
OACZVKSTFWENSU-WLHGVMLRSA-N
SMILES:
OC(=O)/C=C/C(=O)O.C=CCN1CN(C2(C1=O)CCN(CC2)CCCC1(OCCO1)c1cccs1)c1ccccc1
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
583.235g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
583.7g/mol
Monoisotopic Mass:
583.235g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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