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Chemical ID: 5671857
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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