Chemical ID: 7191072

CCOc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCCOC
Chemical ID:
7191072
Name [?]:
5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCCOC
InChi [?]:
InChI=1/C25H29NO6/c1-5-32-19-10-7-17(8-11-19)22-21(24(28)25(29)26(22)13-6-14-30-3)23(27)18-9-12-20(31-4)16(2)15-18/h7-12,15,22,27H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,32,21,2,29,6,8,14,5,9,15,28,30,18,17,7,13,4,16,11,10,12,23,25,27,22,24,26,31,20,3/E:(7,8)(10,11)/rA:32cCCOCCCCCCCCCCCCCCCCOCOCOCONCCCOC/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO6
All Atoms:61
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:8.77001
Area:656.567
Solvation:-7.64417
Coulombic:-65.7845
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:439.501
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.2
LogP (Chemaxon):1.96

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Descriptor Annotations

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