Chemical ID: 7139985

Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccccc3)S2
Chemical ID:
7139985
Name [?]:
5-benzylidene-2-(3,4-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C18H16N2OS/c1-12-8-9-15(10-13(12)2)19-18-20-17(21)16(22-18)11-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,19,18,20,17,21,3,4,6,15,2,7,16,5,14,12,10,9,11,13,22/E:(4,5)(6,7)/rA:22nCCCCCCCCNCNCOCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;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:10.777
Area:504.333
Solvation:-1.83131
Coulombic:-30.4719
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:3.97
LogP (Chemaxon):5.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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