Chemical ID: 4136101

COc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2O)Br
Chemical ID:
4136101
Name [?]:
N'-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-N-(3-methoxyphenyl)-oxamide
SMILES [?]:
COc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2O)Br
InChi [?]:
InChI=1/C16H14BrN3O4/c1-24-13-4-2-3-12(8-13)19-15(22)16(23)20-18-9-10-7-11(17)5-6-14(10)21/h2-9,21H,1H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,20,21,18,8,16,17,19,7,3,22,10,12,24,15,9,14,23,11,13,2/rA:24nCOCCCCCCNCOCONNCCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14BrN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.65331
Area:544.511
Solvation:-4.95946
Coulombic:-66.7068
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:392.204
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.33
LogP (Chemaxon):3.23

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