Chemical ID: 4131187

CCc1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2O
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

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