Chemical ID: 7036069

CCOc1cc(ccc1OCC=C)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccc(cc3)OC
Chemical ID:
7036069
Name [?]:
5-(4-allyloxy-3-ethoxy-phenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H29NO7/c1-5-14-34-20-12-9-18(16-21(20)33-6-2)23-22(25(29)26(30)27(23)13-15-31-3)24(28)17-7-10-19(32-4)11-8-17/h5,7-12,16,23,29H,1,6,13-15H2,2-4H3
InChi Info:
AuxInfo=1/0/N:13,1,23,34,12,2,28,32,7,29,31,8,20,11,21,5,27,6,30,9,4,15,14,25,16,17,19,26,24,18,22,33,3,10/E:(7,8)(10,11)/rA:34cCCOCCCCCCOCCCCCCCONCCOCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s6;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s16;s15;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO7
All Atoms:63
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:8.87172
Area:722.712
Solvation:-9.19608
Coulombic:-73.5264
Bond Count [?]
All:36
Single:26
Double:10
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:467.511
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.52
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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