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Chemical ID: 5844980
Chemical ID:
5844980
Name [?]:
2-(2-chlorophenoxy)-N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]acetamide
SMILES [?]:
CCOc1ccc(cc1OC)C=NNC(=O)COc2ccccc2Cl
InChi [?]:
InChI=1/C18H19ClN2O4/c1-3-24-16-9-8-13(10-17(16)23-2)11-20-21-18(22)12-25-15-7-5-4-6-14(15)19/h4-11H,3,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,11,2,22,21,23,20,6,5,8,12,17,7,24,19,4,9,15,25,13,14,16,10,3,18/rA:25nCCOCCCCCCOCCNNCOCOCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.70933 |
Area: | 594.034 |
Solvation: | -9.14153 |
Coulombic: | -39.5055 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 362.807 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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