Chemical ID: 7187750

CCOc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCOC
Chemical ID:
7187750
Name [?]:
5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCOC
InChi [?]:
InChI=1/C24H27NO6/c1-5-31-18-9-6-16(7-10-18)21-20(23(27)24(28)25(21)12-13-29-3)22(26)17-8-11-19(30-4)15(2)14-17/h6-11,14,21,26H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,31,21,2,6,8,14,5,9,15,28,29,18,17,7,13,4,16,11,10,12,23,25,27,22,24,26,30,20,3/E:(6,7)(9,10)/rA:31cCCOCCCCCCCCCCCCCCCCOCOCOCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s12;s11;d23;s23;d25;s10s25;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO6
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.38578
Area:605.901
Solvation:-6.76174
Coulombic:-65.625
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:2.84
LogP (Chemaxon):1.91

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Descriptor Annotations

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