Chemical ID: 4245441

Cc1cc2c(c(oc2cc1C)C(=O)NCc3ccncc3)C
Chemical ID:
4245441
Name [?]:
3,5,6-trimethyl-N-(4-pyridylmethyl)benzofuran-2-carboxamide
SMILES [?]:
Cc1cc2c(c(oc2cc1C)C(=O)NCc3ccncc3)C
InChi [?]:
InChI=1/C18H18N2O2/c1-11-8-15-13(3)17(22-16(15)9-12(11)2)18(21)20-10-14-4-6-19-7-5-14/h4-9H,10H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,11,22,17,21,18,20,3,9,15,2,10,5,16,4,8,6,12,19,14,13,7/E:(4,5)(6,7)/rA:22nCCCCCCOCCCCCONCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2158
Area:508.449
Solvation:-2.4954
Coulombic:-36.2772
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.348
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.96
LogP (Chemaxon):3.15

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Experimental Annotations

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Descriptor Annotations

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