Chemical ID: 5808925

CCCCCCOc1cccc(c1)N2C(C(=C(C2=O)O)C(=O)C)c3ccc(cc3)F
Chemical ID:
5808925
Name [?]:
4-acetyl-5-(4-fluorophenyl)-1-(3-hexoxyphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCCCOc1cccc(c1)N2C(C(=C(C2=O)O)C(=O)C)c3ccc(cc3)F
InChi [?]:
InChI=1/C24H26FNO4/c1-3-4-5-6-14-30-20-9-7-8-19(15-20)26-22(17-10-12-18(25)13-11-17)21(16(2)27)23(28)24(26)29/h7-13,15,22,28H,3-6,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,3,4,5,10,11,9,25,29,26,28,6,13,21,24,27,12,8,16,15,17,18,30,14,22,20,19,7/E:(10,11)(12,13)/rA:30cCCCCCCOCCCCCCNCCCCOOCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s14s17;d18;s17;s16;d21;s21;s15;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26FNO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.47279
Area:640.575
Solvation:-6.54158
Coulombic:-52.5509
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.466
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.61
LogP (Chemaxon):4.48

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Descriptor Annotations

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