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Chemical ID: 6987203
Chemical ID:
6987203
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]acetamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)COc2ccc(c(c2)C)Cl
InChi [?]:
InChI=1/C18H19ClN2O4/c1-3-24-17-9-13(4-7-16(17)22)10-20-21-18(23)11-25-14-5-6-15(19)12(2)8-14/h4-10,22H,3,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,7,19,20,8,23,5,11,16,22,6,18,21,9,4,14,25,12,13,10,15,3,17/rA:25nCCOCCCCCCOCNNCOCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22675 |
Area: | 612.74 |
Solvation: | -8.09175 |
Coulombic: | -48.4278 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.807 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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