Chemical ID: 4655260

CCCCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3cccc(c3)F
Chemical ID:
4655260
Name [?]:
5-(3-fluorophenyl)-1-hexyl-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3cccc(c3)F
InChi [?]:
InChI=1/C24H26FNO3/c1-3-4-5-6-14-26-21(18-8-7-9-19(25)15-18)20(23(28)24(26)29)22(27)17-12-10-16(2)11-13-17/h7-13,15,21,28H,3-6,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,3,4,5,25,24,26,18,20,17,21,6,28,19,16,23,27,9,8,14,10,11,29,7,15,13,12/E:(10,11)(12,13)/rA:29cCCCCCCNCCCCOOCOCCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s19;s8;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26FNO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.3062
Area:628.074
Solvation:-4.39563
Coulombic:-49.0961
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.467
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.28
LogP (Chemaxon):4.83

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