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Chemical ID: 4162736
Chemical ID:
4162736
Name [?]:
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-4-methoxy-phenyl)methyleneamino]acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)NN=Cc2ccc(cc2O)OC
InChi [?]:
InChI=1/C18H20N2O4/c1-12-4-7-17(13(2)8-12)24-11-18(22)20-19-10-14-5-6-15(23-3)9-16(14)21/h4-10,21H,11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,24,3,17,18,4,7,20,15,10,2,6,16,19,21,5,11,14,13,22,12,23,9/rA:24nCCCCCCCCOCCONNCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s19;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.47946 |
Area: | 557.603 |
Solvation: | -7.46062 |
Coulombic: | -48.0022 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 328.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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