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Chemical ID: 6631117
Chemical ID:
6631117
Name [?]:
N'-[(4-dimethylaminophenyl)methyleneamino]-N-(4-ethoxyphenyl)-oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C19H22N4O3/c1-4-26-17-11-7-15(8-12-17)21-18(24)19(25)22-20-13-14-5-9-16(10-6-14)23(2)3/h5-13H,4H2,1-3H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,19,23,6,8,20,22,5,9,17,18,7,21,4,11,13,16,10,15,24,12,14,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:26nCCOCCCCCCNCOCONNCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N4O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5291 |
Area: | 597.627 |
Solvation: | -4.41156 |
Coulombic: | -57.4679 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.403 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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