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89508-19-0

89508-19-0 | Piperazinone, 6-hydroxy-4-(1-oxo-2-propylpentyl)-1-[2-(2-thienyl)ethyl]-

CAS No: 89508-19-0 Catalog No: AG00419N MDL No:

Product Description

Catalog Number:
AG00419N
Chemical Name:
Piperazinone, 6-hydroxy-4-(1-oxo-2-propylpentyl)-1-[2-(2-thienyl)ethyl]-
CAS Number:
89508-19-0
Molecular Formula:
C18H28N2O3S
Molecular Weight:
352.4915
IUPAC Name:
6-hydroxy-4-(2-propylpentanoyl)-1-(2-thiophen-2-ylethyl)piperazin-2-one
InChI:
InChI=1S/C18H28N2O3S/c1-3-6-14(7-4-2)18(23)19-12-16(21)20(17(22)13-19)10-9-15-8-5-11-24-15/h5,8,11,14,16,21H,3-4,6-7,9-10,12-13H2,1-2H3
InChI Key:
IMOPSNDAXCWJGU-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)N1CC(O)N(C(=O)C1)CCc1cccs1)CCC

Properties

Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.182g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.493g/mol
Monoisotopic Mass:
352.182g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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