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Chemical ID: 6652415
Chemical ID:
6652415
Name [?]:
N-[(4-ethoxyphenyl)methyleneamino]-N'-(2-morpholinocarbonylphenyl)-oxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3
InChi [?]:
InChI=1/C22H24N4O5/c1-2-31-17-9-7-16(8-10-17)15-23-25-21(28)20(27)24-19-6-4-3-5-18(19)22(29)26-11-13-30-14-12-26/h3-10,15H,2,11-14H2,1H3,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,6,8,5,9,27,31,28,30,10,7,4,23,18,15,13,24,11,17,12,26,16,14,25,29,3/E:(7,8)(9,10)(11,12)(13,14)/rA:31nCCOCCCCCCCNNCOCONCCCCCCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1745 |
Area: | 661.81 |
Solvation: | -6.37073 |
Coulombic: | -76.3768 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.45 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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