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54636-84-9

Basic Information
CAS No.: 54636-84-9
Name: N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide
Molecular Structure:
Molecular Structure of 54636-84-9 (N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide)
Formula: C29H36Cl4N4O2
Molecular Weight: 614.442
Synonyms: 3-(2-Chloro-5-myristoylaminoanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one;
EINECS: 259-266-3
Density: 1.31 g/cm3
PSA: 73.80000
LogP: 9.74870
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Specification

The N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide ,its cas register number is 54636-84-9.It also can be called as N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)tetradecanamide and the IUPAC name about this chemical is N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]tetradecanamide .

Following are the chemical properties about N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide :(1)#H bond acceptors: 6 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 15 ; (4)Polar Surface Area: 56.22Å2 ; (5)Index of Refraction: 1.605 ; (6)Molar Refractivity: 161.59 cm3 ; (7)Molar Volume: 469 cm3 ; (8)Polarizability: 64.06x10-24cm3 ; (9)Surface Tension: 46.1 dyne/cm

This chemical can be described computed from structure:
(1)Canonical SMILES: CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl
(2)InChI: InChI=1S/C29H36Cl4N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-27(38)34-21-14-15-22(31)25(18-21)35-26-19-28(39)37(36-26)29-23(32)16-20(30)17-24(29)33/h14-18H,2-13,19H2,1H3,(H,34,38)(H,35,36) 
(3)InChIKey: UDVIVSCMZQLZQL-UHFFFAOYSA-N