Chemical ID: 7191102

Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OC)O)O
Chemical ID:
7191102
Name [?]:
4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(c(c3)OC)O)O
InChi [?]:
InChI=1/C26H31NO7/c1-15(2)14-34-20-9-7-18(12-16(20)3)24(29)22-23(17-6-8-19(28)21(13-17)33-5)27(10-11-32-4)26(31)25(22)30/h6-9,12-13,15,23,28-29H,10-11,14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:11,12,1,24,32,26,5,27,6,21,22,3,30,9,10,2,25,4,28,7,29,14,15,13,19,17,16,33,34,20,18,23,31,8/E:(1,2)/rA:34cCCCCCCCOCCCCCCCNCOCOCCOCCCCCCCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;s4;w13;s14;s15;s16;d17;s14s17;d19;s16;s21;s22;s23;s15;s25;d26;s27;d28;d25s29;s29;s31;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO7
All Atoms:65
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.67369
Area:668.202
Solvation:-9.03135
Coulombic:-81.151
Bond Count [?]
All:36
Single:27
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:469.527
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.09
LogP (Chemaxon):2.5

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Descriptor Annotations

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