Home Halogens 3H-1,2,4-Triazol-3-one,2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-

3H-1,2,4-Triazol-3-one,2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-

CAS No.:
83366-66-9
Catalog Number:
AG00IDAO
Molecular Formula:
C25H32ClN5O2
Molecular Weight:
470.0069
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IDAO
Chemical Name:
3H-1,2,4-Triazol-3-one,2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-
CAS Number:
83366-66-9
Molecular Formula:
C25H32ClN5O2
Molecular Weight:
470.0069
MDL Number:
MFCD00865396
IUPAC Name:
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
InChI:
InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
InChI Key:
VRBKIVRKKCLPHA-UHFFFAOYSA-N
SMILES:
CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl
UNII:
59H4FCV1TF
NSC Number:
760344
Properties
Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.224g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.014g/mol
Monoisotopic Mass:
469.224g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
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