Chemical ID: 5995016

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4C)C
Chemical ID:
5995016
Name [?]:
3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4C)C
InChi [?]:
InChI=1/C23H26N4O2/c1-15-6-4-7-18(13-15)21-25-22(29-26-21)19-8-5-11-27(14-19)23(28)24-20-10-9-16(2)12-17(20)3/h4,6-7,9-10,12-13,19H,5,8,11,14H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,4,15,3,5,14,24,23,16,26,7,18,2,25,27,6,13,22,8,10,19,21,9,12,17,20,11/rA:29cCCCCCCCCNCONCCCCNCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.3124
Area:632.228
Solvation:-2.49332
Coulombic:-43.7445
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:390.478
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):4.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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