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Chemical ID: 5594952
Chemical ID:
5594952
Name [?]:
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]oxy]-N-[[5-(2,4-dichlorophenyl)-2-furyl]methyleneamino]acetamide
SMILES [?]:
Cc1cc(c(c(n1)OCC(=O)NN=Cc2ccc(o2)c3ccc(cc3Cl)Cl)C#N)COC
InChi [?]:
InChI=1/C22H18Cl2N4O4/c1-13-7-14(11-30-2)18(9-25)22(27-13)31-12-21(29)28-26-10-16-4-6-20(32-16)17-5-3-15(23)8-19(17)24/h3-8,10H,11-12H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,32,22,16,21,17,3,24,28,14,30,9,2,4,23,15,20,5,25,18,10,6,27,26,29,13,7,12,11,31,8,19/rA:32nCCCCCCNOCCONNCCCCCOCCCCCCClClCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s25;s23;s5;t28;s4;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N4O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3017 |
Area: | 684.087 |
Solvation: | -6.80053 |
Coulombic: | -51.7881 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 473.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.8 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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