Chemical ID: 6165129

c1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)Br)O)Br)S2
Chemical ID:
6165129
Name [?]:
5-[(3,5-dibromo-4-hydroxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)Br)O)Br)S2
InChi [?]:
InChI=1/C16H10Br2N2O2S/c17-11-6-9(7-12(18)14(11)21)8-13-15(22)20-16(23-13)19-10-4-2-1-3-5-10/h1-8,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,19,13,14,4,16,18,12,17,10,8,22,20,7,9,21,11,23/E:(2,3)(4,5)(6,7)(11,12)(17,18)/rA:23nCCCCCCNCNCOCCCCCCCCBrOBrS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Br2N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7284
Area:535.994
Solvation:-2.67144
Coulombic:-45.6381
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:454.137
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.28
LogP (Chemaxon):5.65

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