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Chemical ID: 7047499
Chemical ID:
7047499
Name [?]:
7-ethoxy-N-(5-iodo-2-pyridyl)-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccc(cn3)I
InChi [?]:
InChI=1/C17H13IN2O4/c1-2-23-12-5-3-10-7-13(17(22)24-14(10)8-12)16(21)20-15-6-4-11(18)9-19-15/h3-9H,2H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,5,19,8,14,22,7,21,4,9,13,18,15,10,24,23,17,16,11,3,12/rA:24nCCOCCCCCCCOOCCCONCCCCCNI/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13IN2O4 |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.64936 |
Area: | 557.374 |
Solvation: | -6.28498 |
Coulombic: | -48.5306 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 436.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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