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Chemical ID: 5436946
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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