Chemical ID: 5432349

Cc1ccc(c(c1)Br)NC(=O)CCc2cc(c(c(c2)OC)OC)OC
Chemical ID:
5432349
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3-(3,4,5-trimethoxyphenyl)-propanamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)CCc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C19H22BrNO4/c1-12-5-7-15(14(20)9-12)21-18(22)8-6-13-10-16(23-2)19(25-4)17(11-13)24-3/h5,7,9-11H,6,8H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,25,23,3,13,4,12,7,19,15,2,14,6,5,18,16,10,17,8,9,11,20,24,22/E:(2,3)(10,11)(16,17)(23,24)/rA:25nCCCCCCCBrNCOCCCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s16;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22BrNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.17437
Area:590.543
Solvation:-6.5892
Coulombic:-42.1407
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.286
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):3.46

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