Chemical ID: 6456653

CCOc1ccc(cc1OC)C=NNC(=O)COc2c(cc(cc2Cl)Cl)Cl
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

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Descriptor Annotations

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