Chemical ID: 6164546

c1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3O)Br)S2
Chemical ID:
6164546
Name [?]:
5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3O)Br)S2
InChi [?]:
InChI=1/C16H11BrN2O2S/c17-11-6-7-13(20)10(8-11)9-14-15(21)19-16(22-14)18-12-4-2-1-3-5-12/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,15,13,14,16,4,19,12,10,8,21,7,9,20,11,22/E:(2,3)(4,5)/rA:22nCCCCCCNCNCOCCCCCCCCOBrS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2312
Area:508.929
Solvation:-2.49201
Coulombic:-45.7763
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:375.241
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):4.86

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