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Chemical ID: 7142482
Chemical ID:
7142482
Name [?]:
3-(2,5-dimethylphenyl)-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3cccnc3)SC2=S)C
InChi [?]:
InChI=1/C17H14N2OS2/c1-11-5-6-12(2)14(8-11)19-16(20)15(22-17(19)21)9-13-4-3-7-18-10-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,15,14,3,4,16,7,12,18,2,5,13,6,11,9,20,17,8,10,21,19/rA:22nCCCCCCCNCOCCCCCCNCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s11;s8s19;d20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2OS2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4862 |
Area: | 508.438 |
Solvation: | -2.22477 |
Coulombic: | -23.8438 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.8 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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