Chemical ID: 6968681

Cc1cc(cc(c1OCC(=O)NN=C(C)c2ccccc2O)Br)Br
Chemical ID:
6968681
Name [?]:
2-(2,4-dibromo-6-methyl-phenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILES [?]:
Cc1cc(cc(c1OCC(=O)NN=C(C)c2ccccc2O)Br)Br
InChi [?]:
InChI=1/C17H16Br2N2O3/c1-10-7-12(18)8-14(19)17(10)24-9-16(23)21-20-11(2)13-5-3-4-6-15(13)22/h3-8,22H,9H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,18,19,17,20,3,5,9,2,14,4,16,6,21,10,7,24,23,13,12,22,11,8/rA:24nCCCCCCCOCCONNCCCCCCCCOBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s14;s16;d17;s18;d19;d16s20;s21;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16Br2N2O3
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.65245
Area:570.962
Solvation:-6.6216
Coulombic:-41.0654
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:456.129
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.24
LogP (Chemaxon):4.42

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