Chemical ID: 6120735

CCOc1ccccc1C=C2C(=O)N(C(=S)S2)c3ccc(cc3)Br
Chemical ID:
6120735
Name [?]:
3-(4-bromophenyl)-5-[(2-ethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)N(C(=S)S2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H14BrNO2S2/c1-2-22-15-6-4-3-5-12(15)11-16-17(21)20(18(23)24-16)14-9-7-13(19)8-10-14/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,20,22,19,23,10,9,21,18,4,11,12,15,24,14,13,3,16,17/E:(7,8)(9,10)/rA:24nCCOCCCCCCCCCONCSSCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrNO2S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.6093
Area:565.574
Solvation:-2.53003
Coulombic:-28.0248
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:420.345
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.53
LogP (Chemaxon):5.37

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