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Chemical ID: 4088900
Chemical ID:
4088900
Name [?]:
N-(3,4-dimethylphenyl)-N'-[[2-(trifluoromethyl)phenyl]methyleneamino]oxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C18H16F3N3O2/c1-11-7-8-14(9-12(11)2)23-16(25)17(26)24-22-10-13-5-3-4-6-15(13)18(19,20)21/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,8,19,20,18,21,3,4,6,16,2,7,17,5,22,10,12,23,24,25,26,15,9,14,11,13/E:(19,20,21)/rA:26nCCCCCCCCNCOCONNCCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16F3N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3753 |
Area: | 547.545 |
Solvation: | -3.3133 |
Coulombic: | -63.2996 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.334 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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