Chemical ID: 6446750

Cc1cccc(c1)NCc2cc(c(c(c2)Cl)OCc3ccc(cc3Cl)Cl)OC
Chemical ID:
6446750
Name [?]:
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3-methyl-aniline
SMILES [?]:
Cc1cccc(c1)NCc2cc(c(c(c2)Cl)OCc3ccc(cc3Cl)Cl)OC
InChi [?]:
InChI=1/C22H20Cl3NO2/c1-14-4-3-5-18(8-14)26-12-15-9-20(25)22(21(10-15)27-2)28-13-16-6-7-17(23)11-19(16)24/h3-11,26H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,4,3,5,20,21,7,15,11,23,9,18,2,10,19,22,6,24,14,12,13,26,25,16,8,27,17/rA:28nCCCCCCCNCCCCCCCClOCCCCCCCClClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;s12;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20Cl3NO2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.9846
Area:670.163
Solvation:-3.76945
Coulombic:-31.0094
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:436.758
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.95
LogP (Chemaxon):6.69

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