Chemical ID: 7047497

CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3c(cc(cn3)Cl)Cl
Chemical ID:
7047497
Name [?]:
N-(3,5-dichloro-2-pyridyl)-7-ethoxy-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3c(cc(cn3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O4/c1-2-24-11-4-3-9-5-12(17(23)25-14(9)7-11)16(22)21-15-13(19)6-10(18)8-20-15/h3-8H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,20,14,22,7,21,4,9,19,13,18,15,10,24,25,23,17,16,11,3,12/rA:25nCCOCCCCCCCOOCCCONCCCCCNClCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2O4
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.43536
Area:569.892
Solvation:-5.81194
Coulombic:-49.878
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.194
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.72
LogP (Chemaxon):3.03

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