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Chemical ID: 5640735
Chemical ID:
5640735
Name [?]:
N-acetyl-6-methoxy-2-[3-(trifluoromethyl)phenyl]imino-chromene-3-carboxamide
SMILES [?]:
CC(=O)NC(=O)c1cc2cc(ccc2oc1=Nc3cccc(c3)C(F)(F)F)OC
InChi [?]:
InChI=1/C20H15F3N2O4/c1-11(26)24-18(27)16-9-12-8-15(28-2)6-7-17(12)29-19(16)25-14-5-3-4-13(10-14)20(21,22)23/h3-10H,1-2H3,(H,24,26,27)
InChi Info:
AuxInfo=1/1/N:1,29,20,21,19,12,13,10,8,23,2,9,22,18,11,7,14,5,16,24,25,26,27,4,17,3,6,28,15/E:(21,22,23)/rA:29nCCONCOCCCCCCCCOCNCCCCCCCFFFOC/rB:s1;d2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;s11;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15F3N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.31913 |
Area: | 527.272 |
Solvation: | -6.86267 |
Coulombic: | -66.18 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 404.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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