Chemical ID: 7040102

CCOc1ccc2c(c1)c(c(o2)C)C(=O)Oc3ccc(cc3)C=CC(=O)c4ccc(cc4)C
Chemical ID:
7040102
Name [?]:
[4-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 5-ethoxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
CCOc1ccc2c(c1)c(c(o2)C)C(=O)Oc3ccc(cc3)C=CC(=O)c4ccc(cc4)C
InChi [?]:
InChI=1/C28H24O5/c1-4-31-23-14-16-26-24(17-23)27(19(3)32-26)28(30)33-22-12-7-20(8-13-22)9-15-25(29)21-10-5-18(2)6-11-21/h5-17H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,13,2,29,31,19,21,23,28,32,18,22,5,24,6,9,30,11,20,27,17,4,8,25,7,10,14,26,15,3,12,16/E:(5,6)(7,8)(10,11)(12,13)/rA:33nCCOCCCCCCCCOCCOOCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s10;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;w23;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24O5
All Atoms:57
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.1125
Area:717.514
Solvation:-4.82538
Coulombic:-44.3416
Bond Count [?]
All:36
Single:23
Double:13
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:440.487
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.32
LogP (Chemaxon):6.39

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Descriptor Annotations

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