Chemical ID: 4131001

COc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2OC)Br
Chemical ID:
4131001
Name [?]:
N'-[(5-bromo-2-methoxy-phenyl)methyleneamino]-N-(3-methoxyphenyl)-oxamide
SMILES [?]:
COc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2OC)Br
InChi [?]:
InChI=1/C17H16BrN3O4/c1-24-14-5-3-4-13(9-14)20-16(22)17(23)21-19-10-11-8-12(18)6-7-15(11)25-2/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,5,6,4,20,21,18,8,16,17,19,7,3,22,10,12,25,15,9,14,11,13,2,23/rA:25nCOCCCCCCNCOCONNCCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.85705
Area:561.998
Solvation:-5.1929
Coulombic:-58.2207
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:406.231
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.65
LogP (Chemaxon):3.27

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