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82752-99-6

82752-99-6 | 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3h-1,2,4-triazol-3-one hydrochloride

CAS No: 82752-99-6 Catalog No: AG00582N MDL No:MFCD00935760

Product Description

Catalog Number:
AG00582N
Chemical Name:
2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3h-1,2,4-triazol-3-one hydrochloride
CAS Number:
82752-99-6
Molecular Formula:
C25H33Cl2N5O2
Molecular Weight:
506.4678
MDL Number:
MFCD00935760
IUPAC Name:
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;hydrochloride
InChI:
InChI=1S/C25H32ClN5O2.ClH/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;1H
InChI Key:
DYCKFEBIOUQECE-UHFFFAOYSA-N
SMILES:
CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl.Cl
UNII:
27X63J94GR

Properties

Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.201g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
506.472g/mol
Monoisotopic Mass:
505.201g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

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