Chemical ID: 7141048

COc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)Br)S2
Chemical ID:
7141048
Name [?]:
5-[(3-bromophenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)Br)S2
InChi [?]:
InChI=1/C17H13BrN2O2S/c1-22-14-7-5-13(6-8-14)19-17-20-16(21)15(23-17)10-11-3-2-4-12(18)9-11/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,5,7,4,8,21,15,16,20,6,3,14,12,10,22,9,11,13,2,23/E:(5,6)(7,8)/rA:23nCOCCCCCCNCNCOCCCCCCCCBrS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2O2S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1857
Area:533.869
Solvation:-3.16101
Coulombic:-36.6617
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:3.8
LogP (Chemaxon):4.89

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