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Chemical ID: 6456653
Chemical ID:
6456653
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]-2-(2,4,6-trichlorophenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1OC)C=NNC(=O)COc2c(cc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C18H17Cl3N2O4/c1-3-26-15-5-4-11(6-16(15)25-2)9-22-23-17(24)10-27-18-13(20)7-12(19)8-14(18)21/h4-9H,3,10H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,5,8,21,23,12,17,7,22,20,24,4,9,15,19,26,27,25,13,14,16,10,3,18/E:(7,8)(13,14)(20,21)/rA:27nCCOCCCCCCOCCNNCOCOCCCCCCClClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl3N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48265 |
Area: | 655.553 |
Solvation: | -8.90619 |
Coulombic: | -39.5987 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 431.697 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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