ChemDB: Chemical Search
Download
Chemical ID: 5306486
Chemical ID:
5306486
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2nnc(s2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C18H17N3O4S/c1-23-13-7-5-4-6-12(13)16(22)19-18-21-20-17(26-18)11-8-9-14(24-2)15(10-11)25-3/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,6,5,7,4,18,19,22,17,8,3,20,21,9,15,12,11,14,13,10,2,25,23,16/rA:26nCOCCCCCCCONCNNCSCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.37843 |
Area: | 583.231 |
Solvation: | -8.20235 |
Coulombic: | -45.8974 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.66 |
LogP (Chemaxon): | 2.56 |
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 |
---|