ChemDB: Chemical Search
Download
Chemical ID: 6987661
Chemical ID:
6987661
Name [?]:
N-[(2,4-dichlorophenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H18Cl2N2O2/c1-12(2)15-5-3-4-6-17(15)24-11-18(23)22-21-10-13-7-8-14(19)9-16(13)20/h3-10,12H,11H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,8,18,19,21,16,11,2,17,20,4,22,9,12,24,23,15,14,13,10/E:(1,2)/rA:24nCCCCCCCCCOCCONNCCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O2 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84131 |
Area: | 586.345 |
Solvation: | -5.81732 |
Coulombic: | -26.916 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.11 |
LogP (Chemaxon): | 5.25 |
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 |
---|