Chemical ID: 5858587

COc1cc(cc(c1OC)OC)C(=O)Nc2nnc(o2)c3ccccc3
Chemical ID:
5858587
Name [?]:
3,4,5-trimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2nnc(o2)c3ccccc3
InChi [?]:
InChI=1/C18H17N3O5/c1-23-13-9-12(10-14(24-2)15(13)25-3)16(22)19-18-21-20-17(26-18)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,10,24,23,25,22,26,4,6,21,5,3,7,8,13,19,16,15,18,17,14,2,11,9,20/E:(1,2)(5,6)(7,8)(9,10)(13,14)(23,24)/rA:26nCOCCCCCCOCOCCONCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.2638
Area:570.929
Solvation:-7.00942
Coulombic:-57.7105
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:3.7
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