Chemical ID: 6433682

CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2)C(F)(F)F
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

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Descriptor Annotations

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