ChemDB: Chemical Search
Download
Chemical ID: 3928748
Chemical ID:
3928748
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-N-propyl-benzamide
SMILES [?]:
CCCN(c1nnc(s1)c2ccc(c(c2)OC)OC)C(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H20FN3O3S/c1-4-10-24(19(25)14-6-5-7-15(21)11-14)20-23-22-18(28-20)13-8-9-16(26-2)17(12-13)27-3/h5-9,11-12H,4,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,17,2,24,23,25,11,12,3,27,15,10,22,26,13,14,8,20,5,28,7,6,4,21,18,16,9/rA:28nCCCNCNNCSCCCCCCOCOCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s4;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20FN3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84284 |
Area: | 603.034 |
Solvation: | -6.23302 |
Coulombic: | -40.9999 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 401.456 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.83 |
LogP (Chemaxon): | 3.53 |
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 |
---|