ChemDB: Chemical Search
Download
Chemical ID: 7144831
Chemical ID:
7144831
Name [?]:
4-[[3-(2,5-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzaldehyde
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S)C
InChi [?]:
InChI=1/C19H15NO2S2/c1-12-3-4-13(2)16(9-12)20-18(22)17(24-19(20)23)10-14-5-7-15(11-21)8-6-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,3,4,14,18,15,17,7,12,19,2,5,13,16,6,11,9,22,8,20,10,23,21/E:(5,6)(7,8)/rA:24nCCCCCCCNCOCCCCCCCCCOSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s11;s8s21;d22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO2S2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6957 |
Area: | 549.19 |
Solvation: | -3.03409 |
Coulombic: | -27.1516 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.75 |
LogP (Chemaxon): | 5.1 |
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 |
---|