ChemDB: Chemical Search
Download
Chemical ID: 7109792
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|