Chemical ID: 5989013

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4)C#N
Chemical ID:
5989013
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(cc4)C#N
InChi [?]:
InChI=1/C22H21N5O2/c1-15-4-2-5-17(12-15)20-25-21(29-26-20)18-6-3-11-27(14-18)22(28)24-19-9-7-16(13-23)8-10-19/h2,4-5,7-10,12,18H,3,6,11,14H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,4,15,3,5,14,24,26,23,27,16,7,28,18,2,25,6,13,22,8,10,19,29,21,9,12,17,20,11/E:(7,8)(9,10)/rA:29cCCCCCCCCNCONCCCCNCCONCCCCCCCN/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;s25;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N5O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.9699
Area:636.837
Solvation:-2.95098
Coulombic:-46.5281
Bond Count [?]
All:32
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.435
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.6
LogP (Chemaxon):4.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue