Chemical ID: 5675477

COCCN1C(C(=C(c2ccc(cc2)OC)O)C(=O)C1=O)c3cccc(c3)OC
Chemical ID:
5675477
Name [?]:
4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
COCCN1C(C(=C(c2ccc(cc2)OC)O)C(=O)C1=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C22H23NO6/c1-27-12-11-23-19(15-5-4-6-17(13-15)29-3)18(21(25)22(23)26)20(24)14-7-9-16(28-2)10-8-14/h4-10,13,19,24H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,29,24,23,25,10,14,11,13,4,3,27,9,22,12,26,7,6,8,18,20,5,17,19,21,2,15,28/E:(7,8)(9,10)/rA:29cCOCCNCCCCCCCCCOCOCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;s15;s8;s7;d18;s5s18;d20;s6;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.72693
Area:551.172
Solvation:-7.05236
Coulombic:-65.2678
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:397.421
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.2
LogP (Chemaxon):1.1

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Descriptor Annotations

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