Chemical ID: 5988068

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)C=Cc4ccccc4
Chemical ID:
5988068
Name [?]:
1-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-phenyl-prop-2-en-1-one
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)C=Cc4ccccc4
InChi [?]:
InChI=1/C23H23N3O2/c1-17-7-5-10-19(15-17)22-24-23(28-25-22)20-11-6-14-26(16-20)21(27)13-12-18-8-3-2-4-9-18/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,4,15,3,24,28,5,14,22,21,16,7,18,2,23,6,13,19,8,10,9,12,17,20,11/E:(3,4)(8,9)/rA:28cCCCCCCCCNCONCCCCNCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;w21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.1886
Area:604.545
Solvation:-2.92505
Coulombic:-31.2162
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:373.448
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.66
LogP (Chemaxon):4.68

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