Chemical ID: 6621127

CCOc1ccc(cc1C(=O)NN=Cc2cc(ccc2OC)Br)Br
Chemical ID:
6621127
Name [?]:
5-bromo-N-[(5-bromo-2-methoxy-phenyl)methyleneamino]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1C(=O)NN=Cc2cc(ccc2OC)Br)Br
InChi [?]:
InChI=1/C17H16Br2N2O3/c1-3-24-16-7-5-13(19)9-14(16)17(22)21-20-10-11-8-12(18)4-6-15(11)23-2/h4-10H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,6,19,5,16,8,14,15,17,7,9,20,4,10,23,24,13,12,11,21,3/rA:24nCCOCCCCCCCONNCCCCCCCOCBrBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;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:7.74549
Area:544.175
Solvation:-5.85888
Coulombic:-32.9025
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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