Chemical ID: 5741554

COc1ccc(cc1OC)C=CC(=O)OCCN2C(=O)c3ccccc3C2=O
Chemical ID:
5741554
Name [?]:
2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)OCCN2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C21H19NO6/c1-26-17-9-7-14(13-18(17)27-2)8-10-19(23)28-12-11-22-20(24)15-5-3-4-6-16(15)21(22)25/h3-10,13H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,23,24,22,25,5,11,4,12,17,16,7,6,21,26,3,8,13,19,27,18,14,20,28,2,9,15/E:(3,4)(5,6)(15,16)(20,21)(24,25)/rA:28nCOCCCCCCOCCCCOOCCNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s18s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.90732
Area:593.905
Solvation:-6.94031
Coulombic:-60.1024
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:381.379
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.72
LogP (Chemaxon):2.13

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