ChemDB: Chemical Search
Download
Chemical ID: 6628708
Chemical ID:
6628708
Name [?]:
2-(4-chlorophenoxy)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]acetamide
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H20Cl2N2O4/c1-29-22-12-17(4-11-21(22)31-14-16-2-5-18(24)6-3-16)13-26-27-23(28)15-30-20-9-7-19(25)8-10-20/h2-13H,14-15H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,12,16,6,13,15,27,29,26,30,7,4,18,10,23,11,5,14,28,25,8,3,21,17,31,19,20,22,2,24,9/E:(2,3)(5,6)(7,8)(9,10)/rA:31nCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20Cl2N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72999 |
Area: | 724.279 |
Solvation: | -9.377 |
Coulombic: | -41.0965 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 459.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.19 |
LogP (Chemaxon): | 5.32 |
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 |
---|