Chemical ID: 5560844

COc1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3)Br)S2
Chemical ID:
5560844
Name [?]:
2-(3-bromophenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3)Br)S2
InChi [?]:
InChI=1/C17H13BrN2O2S/c1-22-14-7-5-11(6-8-14)9-15-16(21)20-17(23-15)19-13-4-2-3-12(18)10-13/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,5,7,4,8,9,21,6,20,16,3,10,11,14,22,15,13,12,2,23/E:(5,6)(7,8)/rA:23nCOCCCCCCCCCONCNCCCCCCBrS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1891
Area:532.904
Solvation:-3.13352
Coulombic:-36.5724
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:389.267
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.81
LogP (Chemaxon):4.89

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