ChemDB: Chemical Search
Download
Chemical ID: 6930285
Chemical ID:
6930285
Name [?]:
2-(4-chlorophenoxy)-N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]acetamide
SMILES [?]:
COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=NNC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H19Cl3N2O4/c1-30-22-11-15(5-10-21(22)32-13-18-19(25)3-2-4-20(18)26)12-27-28-23(29)14-31-17-8-6-16(24)7-9-17/h2-12H,13-14H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,6,28,30,27,31,7,4,19,10,24,5,29,26,11,12,16,8,3,22,32,18,17,20,21,23,2,25,9/E:(3,4)(6,7)(8,9)(19,20)(25,26)/rA:32nCOCCCCCCOCCCCCCCClClCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;s5;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19Cl3N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55067 |
Area: | 753.054 |
Solvation: | -9.27567 |
Coulombic: | -41.36 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 493.766 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.81 |
LogP (Chemaxon): | 5.84 |
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 |
---|