Chemical ID: 7041501

Cc1cc2c(c(oc2cc1C)C(=O)Nc3cc(ccc3OC)OC)C
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

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Descriptor Annotations

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