ChemDB: Chemical Search
Download
Chemical ID: 7141743
Chemical ID:
7141743
Name [?]:
3-(4-acetylphenyl)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)c3ccc(cc3)C(=O)C
InChi [?]:
InChI=1/C21H19NO4S2/c1-4-26-17-10-5-14(11-18(17)25-3)12-19-20(24)22(21(27)28-19)16-8-6-15(7-9-16)13(2)23/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,11,2,6,22,24,21,25,5,8,12,26,7,23,20,4,9,13,14,17,16,27,15,10,3,18,19/E:(6,7)(8,9)/rA:28nCCOCCCCCCOCCCCONCSSCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO4S2 |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.62827 |
Area: | 634.181 |
Solvation: | -6.22626 |
Coulombic: | -40.2237 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.22 |
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 |
---|