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Chemical ID: 6446703
Chemical ID:
6446703
Name [?]:
N-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl]-4-ethyl-aniline
SMILES [?]:
CCc1ccc(cc1)NCc2cc(c(c(c2)Cl)OCc3ccccc3)OC
InChi [?]:
InChI=1/C23H24ClNO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-14,25H,3,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,23,22,24,21,25,4,8,5,7,16,12,10,19,3,20,11,6,15,13,14,17,9,26,18/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCCNCCCCCCCClOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;s19;s20;d21;s22;d23;d20s24;s13;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24ClNO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4269 |
Area: | 628.928 |
Solvation: | -4.29635 |
Coulombic: | -30.7214 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 381.895 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.17 |
LogP (Chemaxon): | 6.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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