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Chemical ID: 5997194

c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F

Chemical ID:

5997194

Name [?]:

2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-bis[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-5-yl]-pyrrolidine-1-carboxamide

SMILES [?]:

c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F

InChi [?]:

InChI=1/C21H16F6N4O2/c22-20(23,24)13-9-14(21(25,26)27)11-15(10-13)28-19(32)31-8-4-7-16(31)18-29-17(30-33-18)12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8H2,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,3,5,13,15,23,21,25,4,22,24,20,12,7,9,17,30,26,31,32,33,27,28,29,19,8,11,16,18,10/E:(2,3)(5,6)(10,11)(13,14)(20,21)(22,23,24,25,26,27)/rA:33cCCCCCCCNCONCCCCNCONCCCCCCCFFFCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s26;s26;s22;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆F₆N₄O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4154
Area:	634.796
Solvation:	-4.45454
Coulombic:	-79.7111

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	470.368
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.37
LogP (Chemaxon):	5.66

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value