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Chemical ID: 5822483
Chemical ID:
5822483
Name [?]:
N-(2,4-dimethoxyphenyl)-N'-[[2-(trifluoromethyl)phenyl]methyleneamino]oxamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C18H16F3N3O4/c1-27-12-7-8-14(15(9-12)28-2)23-16(25)17(26)24-22-10-11-5-3-4-6-13(11)18(19,20)21/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,4,5,8,18,19,3,24,6,7,12,14,25,26,27,28,17,11,16,13,15,2,9/E:(19,20,21)/rA:28nCOCCCCCCOCNCOCONNCCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16F3N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97952 |
Area: | 576.868 |
Solvation: | -5.44218 |
Coulombic: | -77.1379 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 395.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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