ChemDB: Chemical Search
Download
Chemical ID: 5858587
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|