ChemDB: Chemical Search
Download
Chemical ID: 7142600
Chemical ID:
7142600
Name [?]:
3-[3-(2,5-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-5-fluoro-indolin-2-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S)C
InChi [?]:
InChI=1/C19H13FN2O2S2/c1-9-3-4-10(2)14(7-9)22-18(24)16(26-19(22)25)15-12-8-11(20)5-6-13(12)21-17(15)23/h3-8H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,3,4,16,17,7,14,2,5,15,13,18,6,12,11,20,9,24,22,19,8,21,10,25,23/rA:26nCCCCCCCNCOCCCCCCCCNCOFSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s15;s11;s8s23;d24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13FN2O2S2 |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3148 |
Area: | 539.221 |
Solvation: | -3.16575 |
Coulombic: | -42.5857 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.08 |
LogP (Chemaxon): | None |
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 |
---|