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Chemical ID: 6605625

Cc1cc(n(n1)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)OCc4ccccc4

Chemical ID:

6605625

Name [?]:

[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl] 4-benzyloxybenzoate

SMILES [?]:

Cc1cc(n(n1)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)OCc4ccccc4

InChi [?]:

InChI=1/C24H19ClN2O3/c1-17-15-23(27(26-17)21-11-9-20(25)10-12-21)30-24(28)19-7-13-22(14-8-19)29-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,29,26,30,18,22,9,11,8,12,19,21,3,24,2,25,17,10,7,20,4,15,13,6,5,16,23,14/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCCCNNCCCCCCClOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s10;s4;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉ClN₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9834
Area:	660.568
Solvation:	-3.5308
Coulombic:	-35.9663

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	418.872
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.55
LogP (Chemaxon):	5.39

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value