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Chemical ID: 5991649

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N4CCN(CC4)c5ccccc5OC

Chemical ID:

5991649

Name [?]:

[2-(4-fluorophenyl)-5-(5-methyl-2-furyl)-pyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]-methanone

SMILES [?]:

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N4CCN(CC4)c5ccccc5OC

InChi [?]:

InChI=1/C26H25FN4O3/c1-18-7-12-24(34-18)21-17-23(31(28-21)20-10-8-19(27)9-11-20)26(32)30-15-13-29(14-16-30)22-5-3-4-6-25(22)33-2/h3-12,17H,13-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,34,29,30,28,31,3,14,16,13,17,4,23,25,22,26,8,2,15,12,7,27,9,5,32,19,18,11,24,21,10,20,33,6/E:(8,9)(10,11)(13,14)(15,16)/rA:34nCCCCCOCCCNNCCCCCCFCONCCNCCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;s24;s21s25;s24;s27;d28;s29;d30;d27s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅FN₄O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7441
Area:	683.702
Solvation:	-6.34844
Coulombic:	-47.782

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	460.5
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.4
LogP (Chemaxon):	3.8

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