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Chemical ID: 4293633
Chemical ID:
4293633
Name [?]:
N'-[(3-allyloxyphenyl)methyleneamino]-N-(3,4-dimethylphenyl)-oxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2cccc(c2)OCC=C
InChi [?]:
InChI=1/C20H21N3O3/c1-4-10-26-18-7-5-6-16(12-18)13-21-23-20(25)19(24)22-17-9-8-14(2)15(3)11-17/h4-9,11-13H,1,10H2,2-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:26,1,8,25,19,18,20,3,4,24,6,22,16,2,7,17,5,21,10,12,15,9,14,11,13,23/rA:26nCCCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9594 |
Area: | 596.379 |
Solvation: | -3.95005 |
Coulombic: | -53.6012 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 351.399 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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