Chemical ID: 4554329

CCOc1ccc2c(c1)occ(c2=O)c3ccc4c(c3)cc(o4)C(=O)OCC
Chemical ID:
4554329
Name [?]:
ethyl 5-(7-ethoxy-4-oxo-chromen-3-yl)benzofuran-2-carboxylate
SMILES [?]:
CCOc1ccc2c(c1)occ(c2=O)c3ccc4c(c3)cc(o4)C(=O)OCC
InChi [?]:
InChI=1/C22H18O6/c1-3-25-15-6-7-16-19(11-15)27-12-17(21(16)23)13-5-8-18-14(9-13)10-20(28-18)22(24)26-4-2/h5-12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,16,5,6,17,20,21,9,11,15,19,4,7,12,18,8,22,13,24,14,25,3,26,10,23/rA:28nCCOCCCCCCOCCCOCCCCCCCCOCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s7s12;d13;s12;s15;d16;s17;d18;d15s19;s19;d21;s18s22;s22;d24;s24;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1271
Area:608.245
Solvation:-5.07897
Coulombic:-51.9299
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.375
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.29
LogP (Chemaxon):4.18

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Descriptor Annotations

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