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Chemical ID: 4860201
Chemical ID:
4860201
Name [?]:
3-(2,4-dimethylphenyl)-5-[(2-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccccc3OC)SC2=S
InChi [?]:
InChI=1/C19H17NO2S2/c1-12-8-9-15(13(2)10-12)20-18(21)17(24-19(20)23)11-14-6-4-5-7-16(14)22-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,16,17,15,18,3,4,7,13,2,6,14,5,19,12,10,23,9,11,20,24,22/rA:24nCCCCCCCCNCOCCCCCCCCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7928 |
Area: | 540.858 |
Solvation: | -2.72865 |
Coulombic: | -27.6315 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.97 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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