Chemical ID: 7066347

Cc1c2c(oc1C(=O)Nc3ccc(cn3)Cl)CC(CC2=O)(C)C
Chemical ID:
7066347
Name [?]:
N-(5-chloro-2-pyridyl)-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxamide
SMILES [?]:
Cc1c2c(oc1C(=O)Nc3ccc(cn3)Cl)CC(CC2=O)(C)C
InChi [?]:
InChI=1/C17H17ClN2O3/c1-9-14-11(21)6-17(2,3)7-12(14)23-15(9)16(22)20-13-5-4-10(18)8-19-13/h4-5,8H,6-7H2,1-3H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,12,11,19,17,14,2,13,20,4,10,3,6,7,18,16,15,9,21,8,5/E:(2,3)/rA:23nCCCCOCCONCCCCCNClCCCCOCC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;s18;s3s19;d20;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O3
All Atoms:40
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.36743
Area:517.678
Solvation:-3.57453
Coulombic:-41.5489
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:332.781
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):2.71

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Descriptor Annotations

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