Chemical ID: 6121360

CN(C)c1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
Chemical ID:
6121360
Name [?]:
5-[(2,6-dichlorophenyl)methylene]-3-(4-dimethylaminophenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CN(C)c1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C18H14Cl2N2OS2/c1-21(2)11-6-8-12(9-7-11)22-17(23)16(25-18(22)24)10-13-14(19)4-3-5-15(13)20/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,17,19,5,9,6,8,14,4,7,15,16,20,13,11,24,22,21,2,10,12,25,23/E:(1,2)(4,5)(6,7)(8,9)(14,15)(19,20)/rA:25nCNCCCCCCCNCOCCCCCCCCClClSCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s16;s13;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.2976
Area:574.208
Solvation:-2.05763
Coulombic:-26.6619
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:409.354
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.85
LogP (Chemaxon):5.79

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