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Chemical ID: 5997017
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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