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Chemical ID: 7047384
Chemical ID:
7047384
Name [?]:
7-ethoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]-chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C19H14F3NO4/c1-2-26-12-8-7-11-9-13(18(25)27-16(11)10-12)17(24)23-15-6-4-3-5-14(15)19(20,21)22/h3-10H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,6,5,8,14,7,4,9,23,18,13,15,10,24,25,26,27,17,16,11,3,12/E:(20,21,22)/rA:27nCCOCCCCCCCOOCCCONCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14F3NO4 |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31722 |
Area: | 545.584 |
Solvation: | -5.32239 |
Coulombic: | -65.036 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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