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Chemical ID: 6652241
Chemical ID:
6652241
Name [?]:
N'-[(4-fluorophenyl)methyleneamino]-N-(2-morpholinocarbonylphenyl)-oxamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCOCC2)NC(=O)C(=O)NN=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C20H19FN4O4/c21-15-7-5-14(6-8-15)13-22-24-19(27)18(26)23-17-4-2-1-3-16(17)20(28)25-9-11-29-12-10-25/h1-8,13H,9-12H2,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,24,28,25,27,10,14,11,13,22,23,26,5,4,16,18,7,29,21,15,20,9,17,19,8,12/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCONCCOCCNCOCONNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19FN4O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0631 |
Area: | 599.726 |
Solvation: | -5.93006 |
Coulombic: | -72.7697 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 398.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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