Chemical ID: 6496255

COc1ccc2ccccc2c1C=NNC(=O)COc3ccc(cc3Cl)Cl
Chemical ID:
6496255
Name [?]:
2-(2,4-dichlorophenoxy)-N-[(2-methoxy-1-naphthyl)methyleneamino]acetamide
SMILES [?]:
COc1ccc2ccccc2c1C=NNC(=O)COc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H16Cl2N2O3/c1-26-18-8-6-13-4-2-3-5-15(13)16(18)11-23-24-20(25)12-27-19-9-7-14(21)10-17(19)22/h2-11H,12H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,5,22,4,21,24,13,18,6,23,11,12,25,3,20,16,27,26,14,15,17,2,19/rA:27nCOCCCCCCCCCCCNNCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;w13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16Cl2N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.03409
Area:612.585
Solvation:-7.28053
Coulombic:-33.5512
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:403.258
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.1
LogP (Chemaxon):4.8

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