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Chemical ID: 6433682
Chemical ID:
6433682
Name [?]:
N-[(4-ethoxyphenyl)methyleneamino]-N'-[3-(trifluoromethyl)phenyl]-oxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C18H16F3N3O3/c1-2-27-15-8-6-12(7-9-15)11-22-24-17(26)16(25)23-14-5-3-4-13(10-14)18(19,20)21/h3-11H,2H2,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,6,8,5,9,23,10,7,22,18,4,15,13,24,25,26,27,11,17,12,16,14,3/E:(6,7)(8,9)(19,20,21)/rA:27nCCOCCCCCCCNNCOCONCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16F3N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76845 |
Area: | 578.423 |
Solvation: | -4.69213 |
Coulombic: | -70.2568 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 379.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.29 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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