Chemical ID: 6455938

c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)Br)S2)O
Chemical ID:
6455938
Name [?]:
2-(4-bromophenyl)imino-5-[(2-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)Br)S2)O
InChi [?]:
InChI=1/C16H11BrN2O2S/c17-11-5-7-12(8-6-11)18-16-19-15(21)14(22-16)9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,18,15,19,7,5,17,14,4,8,9,12,20,13,11,22,10,21/E:(5,6)(7,8)/rA:22nCCCCCCCCCONCNCCCCCCBrSO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0768
Area:512.054
Solvation:-2.72456
Coulombic:-45.5899
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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