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Chemical ID: 5432349
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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