Chemical ID: 7060790

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccccc3F
Chemical ID:
7060790
Name [?]:
5-(2-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
COCCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccccc3F
InChi [?]:
InChI=1/C20H19FN2O4/c1-27-12-4-11-23-17(14-5-2-3-6-15(14)21)16(19(25)20(23)26)18(24)13-7-9-22-10-8-13/h2-3,5-10,17,25H,4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,4,22,25,16,20,17,19,5,3,15,21,26,8,7,13,9,10,27,18,6,14,12,11,2/E:(7,8)(9,10)/rA:27cCOCCCNCCCCOOCOCCCNCCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s7;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19FN2O4
All Atoms:46
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.08538
Area:575.504
Solvation:-6.30223
Coulombic:-58.2591
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.28
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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