Chemical ID: 5436946

COc1cc(cc(c1OC)OC)CCC(=O)Nc2ccc(cc2Br)Br
Chemical ID:
5436946
Name [?]:
N-(2,4-dibromophenyl)-3-(3,4,5-trimethoxyphenyl)-propanamide
SMILES [?]:
COc1cc(cc(c1OC)OC)CCC(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C18H19Br2NO4/c1-23-15-8-11(9-16(24-2)18(15)25-3)4-7-17(22)21-14-6-5-12(19)10-13(14)20/h5-6,8-10H,4,7H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,10,13,20,19,14,4,6,22,5,21,23,18,3,7,15,8,25,24,17,16,2,11,9/E:(1,2)(8,9)(15,16)(23,24)/rA:25nCOCCCCCCOCOCCCCONCCCCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19Br2NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.38205
Area:596.435
Solvation:-6.52882
Coulombic:-41.8944
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:473.156
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):3.79

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