Chemical ID: 5997017

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)NC45CC6CC(C4)CC(C6)C5
Chemical ID:
5997017
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)NC45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C24H30N4O2/c1-15-4-6-19(7-5-15)21-25-22(30-27-21)20-3-2-8-28(20)23(29)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18,20H,2-3,8-14H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,15,14,3,7,4,6,16,24,27,29,26,22,30,2,25,23,28,5,13,8,10,18,21,9,20,12,17,19,11/E:(4,5)(6,7)(9,10,11)(12,13,14)(16,17,18)/rA:30cCCCCCCCCNCONCCCCNCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.734
Area:607.912
Solvation:-2.4638
Coulombic:-44.6613
Bond Count [?]
All:35
Single:29
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.521
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.27
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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