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Chemical ID: 6929604
Chemical ID:
6929604
Name [?]:
2-(4-chlorophenoxy)-N-[[3-[(2,4-dichlorophenyl)methoxy]-4-methoxy-phenyl]methyleneamino]acetamide
SMILES [?]:
COc1ccc(cc1OCc2ccc(cc2Cl)Cl)C=NNC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H19Cl3N2O4/c1-30-21-9-2-15(10-22(21)32-13-16-3-4-18(25)11-20(16)26)12-27-28-23(29)14-31-19-7-5-17(24)6-8-19/h2-12H,13-14H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,5,12,13,28,30,27,31,4,7,15,19,10,24,6,11,29,14,26,16,3,8,22,32,18,17,20,21,23,2,25,9/E:(5,6)(7,8)/rA:32nCOCCCCCCOCCCCCCCClClCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19Cl3N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4293 |
Area: | 763.85 |
Solvation: | -8.66696 |
Coulombic: | -41.8952 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 493.766 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.81 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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