Chemical ID: 7047840

CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccs4
Chemical ID:
7047840
Name [?]:
[2-[(4-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] thiophene-2-carboxylate
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccs4
InChi [?]:
InChI=1/C22H16O5S/c1-2-25-15-7-5-14(6-8-15)12-19-21(23)17-10-9-16(13-18(17)27-19)26-22(24)20-4-3-11-28-20/h3-13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,25,6,8,5,9,16,15,27,10,18,7,4,17,14,19,11,24,12,22,13,23,3,21,20,28/E:(5,6)(7,8)/rA:28nCCOCCCCCCCCCOCCCCCCOOCOCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O5S
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5402
Area:618.139
Solvation:-3.91332
Coulombic:-46.2372
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:392.425
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):4.07

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Descriptor Annotations

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