Chemical ID: 5586472

c1ccc(c(c1)N=C2NC(=O)C(=Cc3cc(cc(c3O)Br)Cl)S2)Cl
Chemical ID:
5586472
Name [?]:
5-[(3-bromo-5-chloro-2-hydroxy-phenyl)methylene]-2-(2-chlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3cc(cc(c3O)Br)Cl)S2)Cl
InChi [?]:
InChI=1/C16H9BrCl2N2O2S/c17-10-7-9(18)5-8(14(10)22)6-13-15(23)21-16(24-13)20-12-4-2-1-3-11(12)19/h1-7,22H,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,13,17,14,16,18,4,5,12,19,10,8,21,22,24,7,9,20,11,23/rA:24nCCCCCCNCNCOCCCCCCCCOBrClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s18;s16;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9BrCl2N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.5963
Area:570.061
Solvation:-2.65527
Coulombic:-46.1088
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:444.13
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):5.9

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Descriptor Annotations

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