ChemDB: Chemical Search
Download
Chemical ID: 3928410
Chemical ID:
3928410
Name [?]:
2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-acetamide
SMILES [?]:
COCC(=O)Nc1nnc(s1)c2ccccc2
InChi [?]:
InChI=1/C11H11N3O2S/c1-16-7-9(15)12-11-14-13-10(17-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,12,4,10,7,6,9,8,5,2,11/E:(3,4)(5,6)/rA:17nCOCCONCNNCSCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N3O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.79593 |
Area: | 442.443 |
Solvation: | -5.26513 |
Coulombic: | -32.8209 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.31 |
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 |
---|