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Chemical ID: 6445731
Chemical ID:
6445731
Name [?]:
2-(4-chlorophenoxy)-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]acetamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=NNC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H22Cl2N2O4/c1-2-30-23-13-17(7-12-22(23)32-15-18-5-3-4-6-21(18)26)14-27-28-24(29)16-31-20-10-8-19(25)9-11-20/h3-14H,2,15-16H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,16,7,28,30,27,31,8,5,19,11,24,6,12,29,26,17,9,4,22,32,18,20,21,23,3,25,10/E:(8,9)(10,11)/rA:32nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22Cl2N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8898 |
Area: | 739.554 |
Solvation: | -8.59904 |
Coulombic: | -42.1301 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 473.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.61 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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