Chemical ID: 7047705

CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccc(cn3)I
Chemical ID:
7047705
Name [?]:
N-(5-iodo-2-pyridyl)-2-oxo-7-propoxy-chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccc(cn3)I
InChi [?]:
InChI=1/C18H15IN2O4/c1-2-7-24-13-5-3-11-8-14(18(23)25-15(11)9-13)17(22)21-16-6-4-12(19)10-20-16/h3-6,8-10H,2,7H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,7,21,6,20,3,9,15,23,8,22,5,10,14,19,16,11,25,24,18,17,12,4,13/rA:25nCCCOCCCCCCCOOCCCONCCCCCNI/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15IN2O4
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.28009
Area:581.123
Solvation:-6.24798
Coulombic:-49.004
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:450.227
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.9
LogP (Chemaxon):4.1

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Descriptor Annotations

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