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Chemical ID: 7453305

CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3OC)OC)O

Chemical ID:

7453305

Name [?]:

5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione

SMILES [?]:

CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3OC)OC)O

InChi [?]:

InChI=1/C26H31NO7/c1-16(2)34-18-9-7-17(8-10-18)24(28)22-23(20-12-11-19(32-4)15-21(20)33-5)27(13-6-14-31-3)26(30)25(22)29/h7-12,15-16,23,28H,6,13-14H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,3,23,33,31,20,7,9,6,10,26,25,19,21,28,2,8,5,27,24,29,12,13,11,17,15,14,34,18,16,22,32,30,4/E:(1,2)(7,8)(9,10)/rA:34cCCCOCCCCCCCCCNCOCOCCCOCCCCCCCOCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s22;s13;s24;d25;s26;d27;d24s28;s29;s30;s27;s32;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.63442
Area:	662.394
Solvation:	-7.92542
Coulombic:	-73.2949

Bond Count [?]

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

Chemical Properties

Molecular Weight:	469.527
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.35
LogP (Chemaxon):	1.66

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