Chemical ID: 5988840

CCC(c1ccccc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)OC
Chemical ID:
5988840
Name [?]:
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-phenyl-butan-1-one
SMILES [?]:
CCC(c1ccccc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H27N3O3/c1-3-20(17-10-5-4-6-11-17)24(28)27-15-8-7-14-21(27)23-25-22(26-30-23)18-12-9-13-19(16-18)29-2/h4-6,9-13,16,20-21H,3,7-8,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,7,6,8,15,14,25,5,9,24,26,16,13,28,4,23,27,3,17,20,18,10,19,21,12,11,29,22/E:(5,6)(10,11)/rA:30cCCCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:11.0045
Area:614.115
Solvation:-4.34839
Coulombic:-37.8579
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:405.49
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):4.7

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