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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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