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Chemical ID: 6496255
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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