Chemical ID: 5801503

Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Br)O)S2
Chemical ID:
5801503
Name [?]:
5-[(3-bromo-4-hydroxy-phenyl)methylene]-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Br)O)S2
InChi [?]:
InChI=1/C17H13BrN2O2S/c1-10-3-2-4-12(7-10)19-17-20-16(22)15(23-17)9-11-5-6-14(21)13(18)8-11/h2-9,21H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,16,17,7,20,14,2,15,6,19,18,13,11,9,21,8,10,22,12,23/rA:23nCCCCCCCNCNCOCCCCCCCCBrOS/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.564
Area:532.299
Solvation:-2.74345
Coulombic:-45.4627
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:389.267
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.92
LogP (Chemaxon):5.33

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