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Chemical ID: 7144826
Chemical ID:
7144826
Name [?]:
4-[[3-(2,4-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzaldehyde
SMILES [?]:
Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S
InChi [?]:
InChI=1/C19H15NO2S2/c1-12-3-8-16(13(2)9-12)20-18(22)17(24-19(20)23)10-14-4-6-15(11-21)7-5-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,15,19,16,18,4,7,13,20,2,6,14,17,5,12,10,23,9,21,11,24,22/E:(4,5)(6,7)/rA:24nCCCCCCCCNCOCCCCCCCCCOSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;d20;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO2S2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7166 |
Area: | 550.111 |
Solvation: | -3.03614 |
Coulombic: | -27.1266 |
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
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Experimental Annotations
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Descriptor Annotations
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