Chemical ID: 7200487

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)OCC=C)O
Chemical ID:
7200487
Name [?]:
5-(4-allyloxyphenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)OCC=C)O
InChi [?]:
InChI=1/C26H29NO6/c1-4-16-33-21-11-7-18(8-12-21)23-22(25(29)26(30)27(23)15-6-17-31-3)24(28)19-9-13-20(14-10-19)32-5-2/h4,7-14,23,28H,1,5-6,15-17H2,2-3H3
InChi Info:
AuxInfo=1/0/N:32,1,22,31,2,19,24,28,6,8,25,27,5,9,18,30,20,23,7,4,26,11,12,10,16,14,13,33,17,15,21,3,29/E:(7,8)(9,10)(11,12)(13,14)/rA:33cCCOCCCCCCCCCNCOCOCCCOCCCCCCCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s12;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO6
All Atoms:62
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.88469
Area:706.438
Solvation:-7.77627
Coulombic:-67.8008
Bond Count [?]
All:35
Single:25
Double:10
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:451.512
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.59
LogP (Chemaxon):2.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue