Chemical ID: 6282760

COc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3OC)OC
Chemical ID:
6282760
Name [?]:
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C18H17N3O5/c1-23-12-6-4-11(5-7-12)16(22)19-18-21-20-17(26-18)14-9-8-13(24-2)10-15(14)25-3/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,7,4,8,19,18,21,6,3,20,17,22,9,15,12,11,14,13,10,2,25,23,16/E:(4,5)(6,7)/rA:26nCOCCCCCCCONCNNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.83078
Area:570.36
Solvation:-6.42822
Coulombic:-57.0899
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:355.345
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.1
LogP (Chemaxon):2.11

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