Chemical ID: 5544078

CCOc1cc(cc(c1OCc2ccc(cc2)Cl)Br)CNc3ccc(cc3)OC
Chemical ID:
5544078
Name [?]:
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]-4-methoxy-aniline
SMILES [?]:
CCOc1cc(cc(c1OCc2ccc(cc2)Cl)Br)CNc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H23BrClNO3/c1-3-28-22-13-17(14-26-19-8-10-20(27-2)11-9-19)12-21(24)23(22)29-15-16-4-6-18(25)7-5-16/h4-13,26H,3,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,13,17,14,16,23,27,24,26,7,5,20,11,12,6,15,22,25,8,4,9,19,18,21,28,3,10/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCOCCCCCCOCCCCCCCClBrCNCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s8;s6;s20;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23BrClNO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5795
Area:681.008
Solvation:-5.4457
Coulombic:-36.8225
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:476.79
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.41
LogP (Chemaxon):6.07

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