ChemDB: Chemical Search
Download
Chemical ID: 7142001
Chemical ID:
7142001
Name [?]:
3-(3-acetylphenyl)-5-(2-furylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccco3)SC2=S
InChi [?]:
InChI=1/C16H11NO3S2/c1-10(18)11-4-2-5-12(8-11)17-15(19)14(22-16(17)21)9-13-6-3-7-20-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,17,5,7,16,18,9,14,2,4,8,15,13,11,21,10,3,12,19,22,20/rA:22nCCOCCCCCCNCOCCCCCCOSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s13;s10s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11NO3S2 |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.35073 |
Area: | 508.406 |
Solvation: | -4.35942 |
Coulombic: | -30.4941 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.93 |
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 |
---|