Chemical ID: 5736598

COc1ccc(c(c1)C=C2C(=NC(=Nc3ccc(cc3)Br)S2)O)OC
Chemical ID:
5736598
Name [?]:
2-(4-bromophenyl)imino-5-[(2,5-dimethoxyphenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1ccc(c(c1)C=C2C(=NC(=Nc3ccc(cc3)Br)S2)O)OC
InChi [?]:
InChI=1/C18H15BrN2O3S/c1-23-14-7-8-15(24-2)11(9-14)10-16-17(22)21-18(25-16)20-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,19,16,20,4,5,8,9,7,18,15,3,6,10,11,13,21,14,12,23,2,24,22/E:(3,4)(5,6)/rA:25nCOCCCCCCCCCNCNCCCCCCBrSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s10s13;s11;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0005
Area:569.031
Solvation:-4.22525
Coulombic:-45.2004
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:419.293
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.03
LogP (Chemaxon):5.33

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