Chemical ID: 5689933

COc1ccc(cc1)C=CC(=O)OCN2C(=O)c3ccccc3C2=O
Chemical ID:
5689933
Name [?]:
(1,3-dioxoisoindolin-2-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1)C=CC(=O)OCN2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C19H15NO5/c1-24-14-9-6-13(7-10-14)8-11-17(21)25-12-20-18(22)15-4-2-3-5-16(15)19(20)23/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,5,7,9,4,8,10,14,6,3,18,23,11,16,24,15,12,17,25,2,13/E:(2,3)(4,5)(6,7)(9,10)(15,16)(18,19)(22,23)/rA:25nCOCCCCCCCCCOOCNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s15s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.87721
Area:519.228
Solvation:-5.10348
Coulombic:-52.893
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:337.326
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.21
LogP (Chemaxon):2.75

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