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Chemical ID: 5698112

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cc(c(c(c3)OC)OC)OC)O

Chemical ID:

5698112

Name [?]:

4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3-dione

SMILES [?]:

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cc(c(c(c3)OC)OC)OC)O

InChi [?]:

InChI=1/C24H27NO7/c1-14-6-8-15(9-7-14)21(26)19-20(25(10-11-29-2)24(28)22(19)27)16-12-17(30-3)23(32-5)18(13-16)31-4/h6-9,12-13,20,26H,10-11H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,19,27,31,29,3,7,4,6,16,17,25,21,2,5,20,24,22,9,10,8,14,23,12,11,32,15,13,18,26,30,28/E:(3,4)(6,7)(8,9)(12,13)(17,18)(30,31)/rA:32cCCCCCCCCCCNCOCOCCOCCCCCCCOCOCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;s10;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇NO₇
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	4.9226
Area:	589.469
Solvation:	-9.81412
Coulombic:	-71.7425

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	441.474
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.15
LogP (Chemaxon):	1.32

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value