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Chemical ID: 5791700
Chemical ID:
5791700
Name [?]:
N'-[(3,4-dimethoxyphenyl)methyleneamino]-N-(2-ethoxyphenyl)-oxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H21N3O5/c1-4-27-15-8-6-5-7-14(15)21-18(23)19(24)22-20-12-13-9-10-16(25-2)17(11-13)26-3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,7,6,8,5,19,20,23,17,18,9,4,21,22,11,13,16,10,15,12,14,26,24,3/rA:27nCCOCCCCCCNCOCONNCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91368 |
Area: | 604.604 |
Solvation: | -7.20141 |
Coulombic: | -65.4465 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 371.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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