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Chemical ID: 5840037
Chemical ID:
5840037
Name [?]:
N-[(4-ethoxyphenyl)methyleneamino]-1-hydroxy-naphthalene-2-carboxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)c2ccc3ccccc3c2O
InChi [?]:
InChI=1/C20H18N2O3/c1-2-25-16-10-7-14(8-11-16)13-21-22-20(24)18-12-9-15-5-3-4-6-17(15)19(18)23/h3-13,23H,2H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,22,6,8,17,5,9,16,10,7,18,4,23,15,24,13,11,12,25,14,3/E:(7,8)(10,11)/rA:25nCCOCCCCCCCNNCOCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07543 |
Area: | 545.715 |
Solvation: | -5.56745 |
Coulombic: | -43.569 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.62 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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