Chemical ID: 6621263

CCOc1ccc(cc1C=NNC(=O)c2cc(ccc2OC)Br)Br
Chemical ID:
6621263
Name [?]:
5-bromo-N-[(5-bromo-2-ethoxy-phenyl)methyleneamino]-2-methoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1C=NNC(=O)c2cc(ccc2OC)Br)Br
InChi [?]:
InChI=1/C17H16Br2N2O3/c1-3-24-15-6-4-12(18)8-11(15)10-20-21-17(22)14-9-13(19)5-7-16(14)23-2/h4-10H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,18,5,19,8,16,10,9,7,17,15,4,20,13,24,23,11,12,14,21,3/rA:24nCCOCCCCCCCNNCOCCCCCCOCBrBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16Br2N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.04273
Area:555.817
Solvation:-5.85269
Coulombic:-33.0873
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:456.129
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.84
LogP (Chemaxon):4.66

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