Chemical ID: 5664090

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)O)O
Chemical ID:
5664090
Name [?]:
5-(3-hydroxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)O)O
InChi [?]:
InChI=1/C21H21NO5/c1-13-6-8-14(9-7-13)19(24)17-18(15-4-3-5-16(23)12-15)22(10-11-27-2)21(26)20(17)25/h3-9,12,18,23-24H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,22,21,23,3,7,4,6,16,17,25,2,5,20,24,9,10,8,14,12,11,26,27,15,13,18/E:(6,7)(8,9)/rA:27cCCCCCCCCCCNCOCOCCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;s10;s20;d21;s22;d23;d20s24;s24;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.08414
Area:529.46
Solvation:-6.15236
Coulombic:-67.449
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:367.395
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.4
LogP (Chemaxon):1.79

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Descriptor Annotations

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