Chemical ID: 7109792

COc1ccc(cc1)CNCc2cc(c(c(c2)Cl)OCC(=O)N)OC
Chemical ID:
7109792
Name [?]:
2-[2-chloro-6-methoxy-4-[(4-methoxyphenyl)methylaminomethyl]phenoxy]acetamide
SMILES [?]:
COc1ccc(cc1)CNCc2cc(c(c(c2)Cl)OCC(=O)N)OC
InChi [?]:
InChI=1/C18H21ClN2O4/c1-23-14-5-3-12(4-6-14)9-21-10-13-7-15(19)18(16(8-13)24-2)25-11-17(20)22/h3-8,21H,9-11H2,1-2H3,(H2,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,5,7,4,8,17,13,9,11,20,6,12,3,16,14,21,15,18,23,10,22,2,24,19/E:(3,4)(5,6)/rA:25nCOCCCCCCCNCCCCCCCClOCCONOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s19;s20;d21;s21;s14;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClN2O4
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.52599
Area:603.176
Solvation:-7.55341
Coulombic:-56.221
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:364.823
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.0
LogP (Chemaxon):1.79

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