Chemical ID: 5700782

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)Oc4ccccc4)O
Chemical ID:
5700782
Name [?]:
4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)-5-(3-phenoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)Oc4ccccc4)O
InChi [?]:
InChI=1/C27H25NO5/c1-18-11-13-19(14-12-18)25(29)23-24(28(15-16-32-2)27(31)26(23)30)20-7-6-10-22(17-20)33-21-8-4-3-5-9-21/h3-14,17,24,29H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,30,29,31,22,21,28,32,23,3,7,4,6,16,17,25,2,5,20,27,24,9,10,8,14,12,11,33,15,13,18,26/E:(4,5)(8,9)(11,12)(13,14)/rA:33cCCCCCCCCCCNCOCOCCOCCCCCCCOCCCCCCO/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;s26;s27;d28;s29;d30;d27s31;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.33412
Area:623.957
Solvation:-6.26482
Coulombic:-60.6482
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:443.491
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.28
LogP (Chemaxon):3.5

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Experimental Annotations

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Descriptor Annotations

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