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Chemical ID: 5683080

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OC)OC)O

Chemical ID:

5683080

Name [?]:

5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione

SMILES [?]:

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OC)OC)O

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,21,9,31,29,23,5,6,24,18,19,3,27,2,22,4,7,25,26,11,12,10,16,14,13,32,17,15,20,8,30,28/rA:32cCCCCCCCOCCCCNCOCOCCOCCCCCCCOCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s12;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	5.20574
Area:	610.265
Solvation:	-10.0509
Coulombic:	-70.9012

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:	2.07
LogP (Chemaxon):	1.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value