Chemical ID: 6407143

CC(C(=O)NN=Cc1ccc(c(c1)OC)O)Oc2ccc(cc2)Br
Chemical ID:
6407143
Name [?]:
2-(4-bromophenoxy)-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)O)Oc2ccc(cc2)Br
InChi [?]:
InChI=1/C17H17BrN2O4/c1-11(24-14-6-4-13(18)5-7-14)17(22)20-19-10-12-3-8-15(21)16(9-12)23-2/h3-11,21H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,9,20,22,19,23,10,13,7,2,8,21,18,11,12,3,24,6,5,16,4,14,17/E:(4,5)(6,7)/rA:24cCCCONNCCCCCCCOCOOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s2;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17BrN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:6.73629
Area:566.693
Solvation:-7.43104
Coulombic:-49.2463
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:393.232
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.51
LogP (Chemaxon):3.81

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