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Chemical ID: 4245441
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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