Chemical ID: 7449288

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3ccc(cc3)F)O
Chemical ID:
7449288
Name [?]:
4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(4-fluorophenyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3ccc(cc3)F)O
InChi [?]:
InChI=1/C23H24FNO6/c1-2-31-18-9-5-16(6-10-18)21(27)19-20(15-3-7-17(24)8-4-15)25(23(29)22(19)28)11-13-30-14-12-26/h3-10,20,26-27H,2,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,29,6,8,26,28,5,9,18,22,19,21,24,7,27,4,11,12,10,16,14,30,13,23,31,17,15,20,3/E:(3,4)(5,6)(7,8)(9,10)/rA:31cCCOCCCCCCCCCNCOCOCCOCCOCCCCCCFO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s22;s12;s24;d25;s26;d27;d24s28;s27;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24FNO6
All Atoms:55
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:5.94964
Area:611.349
Solvation:-9.33407
Coulombic:-77.5227
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:429.438
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.16
LogP (Chemaxon):1.39

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Descriptor Annotations

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