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Chemical ID: 6502728
Chemical ID:
6502728
Name [?]:
N-(4-butylphenyl)-N'-[(4-methoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C20H23N3O3/c1-3-4-5-15-6-10-17(11-7-15)22-19(24)20(25)23-21-14-16-8-12-18(26-2)13-9-16/h6-14H,3-5H2,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,4,6,10,20,24,7,9,21,23,18,5,19,8,22,12,14,17,11,16,13,15,25/E:(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCCCCNCOCONNCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1365 |
Area: | 605.513 |
Solvation: | -4.00132 |
Coulombic: | -52.8063 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 353.415 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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