Chemical ID: 5671857

COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC3CCCO3)c4ccc(cc4)F)O
Chemical ID:
5671857
Name [?]:
5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(tetrahydrofuran-2-ylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC3CCCO3)c4ccc(cc4)F)O
InChi [?]:
InChI=1/C23H22FNO5/c1-29-17-10-6-15(7-11-17)21(26)19-20(14-4-8-16(24)9-5-14)25(23(28)22(19)27)13-18-3-2-12-30-18/h4-11,18,20,26H,2-3,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,24,28,5,7,25,27,4,8,21,17,23,6,26,3,18,10,11,9,15,13,29,12,30,16,14,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCOCCCCCCCCCNCOCOCCCCCOCCCCCCFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;s12;d13;s10s13;d15;s12;s17;s18;s19;s20;s18s21;s11;s23;d24;s25;d26;d23s27;s26;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22FNO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:7.02945
Area:572.122
Solvation:-7.2736
Coulombic:-62.0894
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:411.423
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.98
LogP (Chemaxon):1.89

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Descriptor Annotations

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