Chemical ID: 4569667

Cc1cc(cc(c1O)C=C2c3cc(c(cc3NC2=O)OC)OC)Br
Chemical ID:
4569667
Name [?]:
3-[(5-bromo-2-hydroxy-3-methyl-phenyl)methylene]-5,6-dimethoxy-indolin-2-one
SMILES [?]:
Cc1cc(cc(c1O)C=C2c3cc(c(cc3NC2=O)OC)OC)Br
InChi [?]:
InChI=1/C18H16BrNO4/c1-9-4-11(19)5-10(17(9)21)6-13-12-7-15(23-2)16(24-3)8-14(12)20-18(13)22/h4-8,21H,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,21,3,5,9,12,15,2,6,4,11,10,16,13,14,7,18,24,17,8,19,22,20/rA:24nCCCCCCCOCCCCCCCCNCOOCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;d18;s14;s20;s13;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.5762
Area:498.623
Solvation:-5.88937
Coulombic:-50.8518
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:390.228
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.28
LogP (Chemaxon):3.61

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