Chemical ID: 6446703

CCc1ccc(cc1)NCc2cc(c(c(c2)Cl)OCc3ccccc3)OC
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

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Descriptor Annotations

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