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Chemical ID: 7041331

Chemical ID:

7041331

Name [?]:

3,5-dimethyl-N-(4-pyridylmethyl)benzofuran-2-carboxamide

SMILES [?]:

Cc1ccc2c(c1)c(c(o2)C(=O)NCc3ccncc3)C

InChi [?]:

InChI=1/C17H16N2O2/c1-11-3-4-15-14(9-11)12(2)16(21-15)17(20)19-10-13-5-7-18-8-6-13/h3-9H,10H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,21,3,4,16,20,17,19,7,14,2,8,15,6,5,9,11,18,13,12,10/E:(5,6)(7,8)/rA:21nCCCCCCCCCOCONCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆N₂O₂
All Atoms:	37
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.74372
Area:	490.043
Solvation:	-2.50736
Coulombic:	-36.4758

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	280.321
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.52
LogP (Chemaxon):	2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value