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Chemical ID: 7041501
Chemical ID:
7041501
Name [?]:
N-(2,5-dimethoxyphenyl)-3,5,6-trimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1cc2c(c(oc2cc1C)C(=O)Nc3cc(ccc3OC)OC)C
InChi [?]:
InChI=1/C20H21NO4/c1-11-8-15-13(3)19(25-18(15)9-12(11)2)20(22)21-16-10-14(23-4)6-7-17(16)24-5/h6-10H,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,11,25,24,22,18,19,3,9,16,2,10,5,17,4,15,20,8,6,12,14,13,23,21,7/rA:25nCCCCCCOCCCCCONCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO4 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3421 |
Area: | 551.626 |
Solvation: | -4.44856 |
Coulombic: | -45.4275 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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