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Chemical ID: 7459607

CC(C)COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(c(c3)OC)O)O

Chemical ID:

7459607

Name [?]:

4-[hydroxy-(4-isobutoxyphenyl)-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione

SMILES [?]:

CC(C)COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(c(c3)OC)O)O

InChi [?]:

InChI=1/C26H31NO7/c1-16(2)15-34-19-9-6-17(7-10-19)24(29)22-23(18-8-11-20(28)21(14-18)33-4)27(12-5-13-32-3)26(31)25(22)30/h6-11,14,16,23,28-29H,5,12-13,15H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,24,32,21,8,10,26,7,11,27,20,22,30,4,2,9,25,6,28,29,13,14,12,18,16,15,33,34,19,17,23,31,5/E:(1,2)(6,7)(9,10)/rA:34cCCCCOCCCCCCCCCNCOCOCCCOCCCCCCCOCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;s15;d16;s13s16;d18;s15;s20;s21;s22;s23;s14;s25;d26;s27;d28;d25s29;s29;s31;s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₁NO₇
All Atoms:	65
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	8.26915
Area:	693.815
Solvation:	-9.07624
Coulombic:	-81.6445

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	469.527
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.22
LogP (Chemaxon):	2.08

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