ChemDB: Chemical Search
Download
Chemical ID: 7142234
Chemical ID:
7142234
Name [?]:
5-[(4-bromophenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)Br)SC2=S
InChi [?]:
InChI=1/C18H14BrNOS2/c1-2-12-5-9-15(10-6-12)20-17(21)16(23-18(20)22)11-13-3-7-14(19)8-4-13/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,19,4,8,16,18,5,7,13,3,14,17,6,12,10,22,20,9,11,23,21/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCNCOCCCCCCCCBrSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14BrNOS2 |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.2758 |
Area: | 550.548 |
Solvation: | -1.48788 |
Coulombic: | -21.3856 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.09 |
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 |
---|