Chemical ID: 7139983

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccccc3)S2
Chemical ID:
7139983
Name [?]:
5-benzylidene-2-(2,3-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C18H16N2OS/c1-12-7-6-10-15(13(12)2)19-18-20-17(21)16(22-18)11-14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,19,18,20,4,3,17,21,5,15,2,7,16,6,14,12,10,9,11,13,22/E:(4,5)(8,9)/rA:22nCCCCCCCCNCNCOCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2OS
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.8355
Area:504.641
Solvation:-1.78051
Coulombic:-30.6714
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:308.399
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):5.29

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Experimental Annotations

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Descriptor Annotations

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