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Chemical ID: 6302412
Chemical ID:
6302412
Name [?]:
N-(4-methoxyphenyl)-N'-(2-naphthylmethyleneamino)oxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H17N3O3/c1-26-18-10-8-17(9-11-18)22-19(24)20(25)23-21-13-14-6-7-15-4-2-3-5-16(15)12-14/h2-13H,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,18,19,5,7,4,8,26,16,17,20,25,6,3,10,12,15,9,14,11,13,2/E:(8,9)(10,11)/rA:26nCOCCCCCCNCOCONNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.79742 |
Area: | 561.034 |
Solvation: | -4.22843 |
Coulombic: | -52.6335 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.367 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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