Chemical ID: 4660171

Cc1cccc(c1C)N2C(=O)C(=Cc3cccnc3)SC2=S
Chemical ID:
4660171
Name [?]:
3-(2,3-dimethylphenyl)-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3cccnc3)SC2=S
InChi [?]:
InChI=1/C17H14N2OS2/c1-11-5-3-7-14(12(11)2)19-16(20)15(22-17(19)21)9-13-6-4-8-18-10-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,16,3,15,5,17,13,19,2,7,14,6,12,10,21,18,9,11,22,20/rA:22nCCCCCCCCNCOCCCCCCNCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s12;s9s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1921
Area:499.671
Solvation:-2.29967
Coulombic:-23.6906
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:326.438
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):4.11

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Descriptor Annotations

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