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Chemical ID: 4131187
Chemical ID:
4131187
Name [?]:
N-(4-ethylphenyl)-N'-[(2-hydroxy-1-naphthyl)methyleneamino]oxamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2O
InChi [?]:
InChI=1/C21H19N3O3/c1-2-14-7-10-16(11-8-14)23-20(26)21(27)24-22-13-18-17-6-4-3-5-15(17)9-12-19(18)25/h3-13,25H,2H2,1H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,4,8,24,5,7,25,16,3,23,6,18,17,26,10,12,15,9,14,27,11,13/E:(7,8)(10,11)/rA:27nCCCCCCCCNCOCONNCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;d17s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7944 |
Area: | 579.158 |
Solvation: | -3.6845 |
Coulombic: | -62.0851 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.394 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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