Chemical ID: 6917725

COc1cc(c(cc1C=NNC(=O)C(=O)Nc2cccc(c2)Cl)Br)OC
Chemical ID:
6917725
Name [?]:
N-[(5-bromo-2,4-dimethoxy-phenyl)methyleneamino]-N'-(3-chlorophenyl)-oxamide
SMILES [?]:
COc1cc(c(cc1C=NNC(=O)C(=O)Nc2cccc(c2)Cl)Br)OC
InChi [?]:
InChI=1/C17H15BrClN3O4/c1-25-14-8-15(26-2)13(18)6-10(14)9-20-22-17(24)16(23)21-12-5-3-4-11(19)7-12/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,19,20,18,7,22,4,9,8,21,17,6,3,5,14,12,24,23,10,16,11,15,13,2,25/rA:26nCOCCCCCCCNNCOCONCCCCCCClBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s6;s5;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15BrClN3O4
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.8462
Area:607.344
Solvation:-6.3374
Coulombic:-56.5133
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:440.676
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.28
LogP (Chemaxon):3.78

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