Chemical ID: 5997024

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)Nc4ccc(cc4F)F
Chemical ID:
5997024
Name [?]:
2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-5-yl]-pyrrolidine-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C20H18F2N4O2/c1-12-4-6-13(7-5-12)18-24-19(28-25-18)17-3-2-10-26(17)20(27)23-16-9-8-14(21)11-15(16)22/h4-9,11,17H,2-3,10H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,15,14,3,7,4,6,23,22,16,25,2,5,24,26,21,13,8,10,18,28,27,20,9,12,17,19,11/E:(4,5)(6,7)/rA:28cCCCCCCCCNCONCCCCNCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18F2N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.6653
Area:581.744
Solvation:-3.87829
Coulombic:-50.6446
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.379
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.28
LogP (Chemaxon):3.99

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Descriptor Annotations

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