Chemical ID: 4314771

Cc1cccc(c1C)N2C(=O)C(=Cc3cccc4c3cccc4)SC2=S
Chemical ID:
4314771
Name [?]:
3-(2,3-dimethylphenyl)-5-(1-naphthylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3cccc4c3cccc4)SC2=S
InChi [?]:
InChI=1/C22H17NOS2/c1-14-7-5-12-19(15(14)2)23-21(24)20(26-22(23)25)13-17-10-6-9-16-8-3-4-11-18(16)17/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,22,21,4,16,3,23,17,15,20,5,13,2,7,18,14,19,6,12,10,25,9,11,26,24/rA:26nCCCCCCCCNCOCCCCCCCCCCCCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17NOS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.047
Area:559.035
Solvation:-1.92883
Coulombic:-21.574
Bond Count [?]
All:29
Single:18
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:375.509
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.32
LogP (Chemaxon):6.43

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