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Chemical ID: 6490322

COc1cccc(c1)COc2ccc(cc2)C(=O)NN=Cc3c(cccc3Cl)Cl

Chemical ID:

6490322

Name [?]:

N-[(2,6-dichlorophenyl)methyleneamino]-4-[(3-methoxyphenyl)methoxy]benzamide

SMILES [?]:

COc1cccc(c1)COc2ccc(cc2)C(=O)NN=Cc3c(cccc3Cl)Cl

InChi [?]:

InChI=1/C22H18Cl2N2O3/c1-28-18-5-2-4-15(12-18)14-29-17-10-8-16(9-11-17)22(27)26-25-13-19-20(23)6-3-7-21(19)24/h2-13H,14H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,5,25,6,4,24,26,13,15,12,16,8,21,9,7,14,11,3,22,23,27,17,29,28,20,19,18,2,10/E:(6,7)(8,9)(10,11)(20,21)(23,24)/rA:29nCOCCCCCCCOCCCCCCCONNCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s27;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈Cl₂N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.263
Area:	647.765
Solvation:	-5.93112
Coulombic:	-36.1758

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	429.295
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.78
LogP (Chemaxon):	5.55

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