Chemical ID: 7047499

CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccc(cn3)I
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

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Descriptor Annotations

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