Chemical ID: 5670967

CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3)C)O)C(=O)C(=O)N2CCOC
Chemical ID:
5670967
Name [?]:
5-(4-ethoxy-3-methoxy-phenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3)C)O)C(=O)C(=O)N2CCOC
InChi [?]:
InChI=1/C24H27NO6/c1-5-31-18-11-10-17(14-19(18)30-4)21-20(22(26)16-8-6-15(2)7-9-16)23(27)24(28)25(21)12-13-29-3/h6-11,14,21,26H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,31,11,2,17,19,16,20,6,5,28,29,8,18,15,7,4,9,13,12,14,23,25,27,22,24,26,30,10,3/E:(6,7)(8,9)/rA:31cCCOCCCCCCOCCCCCCCCCCCOCOCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s14;s13;d23;s23;d25;s12s25;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.1611
Area:632.312
Solvation:-7.64671
Coulombic:-66.3704
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:425.474
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.79
LogP (Chemaxon):1.91

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Descriptor Annotations

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