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Chemical ID: 7109631
Chemical ID:
7109631
Name [?]:
2-[2-bromo-6-ethoxy-4-(p-tolylmethylaminomethyl)phenoxy]acetamide
SMILES [?]:
CCOc1cc(cc(c1OCC(=O)N)Br)CNCc2ccc(cc2)C
InChi [?]:
InChI=1/C19H23BrN2O3/c1-3-24-17-9-15(8-16(20)19(17)25-12-18(21)23)11-22-10-14-6-4-13(2)5-7-14/h4-9,22H,3,10-12H2,1-2H3,(H2,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,21,23,20,24,7,5,18,16,11,22,19,6,8,4,12,9,15,14,17,13,3,10/E:(4,5)(6,7)/rA:25nCCOCCCCCCOCCONBrCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s8;s6;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23BrN2O3 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31838 |
Area: | 612.292 |
Solvation: | -5.98892 |
Coulombic: | -49.7549 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.302 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.12 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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