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Chemical ID: 7142437
Chemical ID:
7142437
Name [?]:
3-(2,5-dimethylphenyl)-5-[(4-ethylphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3cc(ccc3C)C
InChi [?]:
InChI=1/C20H19NOS2/c1-4-15-7-9-16(10-8-15)12-18-19(22)21(20(23)24-18)17-11-13(2)5-6-14(17)3/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,2,20,21,4,8,5,7,18,9,19,22,3,6,17,10,11,14,13,12,15,16/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCONCSSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NOS2 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.3956 |
Area: | 557.718 |
Solvation: | -1.54736 |
Coulombic: | -21.2448 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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