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Chemical ID: 5529879
Chemical ID:
5529879
Name [?]:
2-(2-ethoxyphenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
CCOc1ccccc1OCC(=O)NN=Cc2cc(c(c(c2)OC)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H19N3O7/c1-3-27-14-6-4-5-7-15(14)28-11-17(22)20-19-10-12-8-13(21(24)25)18(23)16(9-12)26-2/h4-10,23H,3,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,7,5,8,18,22,16,11,17,19,4,9,21,12,20,15,14,26,13,25,27,28,23,3,10/E:(24,25)/CRV:21.5/rA:28nCCOCCCCCCOCCONNCCCCCCCOCON+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s19;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O7 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -1.76424 |
Area: | 603.062 |
Solvation: | -16.8408 |
Coulombic: | -62.9722 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 389.359 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 10 |
XLogP: | 3.67 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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