Chemical ID: 4877436

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCOCCO)O
Chemical ID:
4877436
Name [?]:
4-(4-ethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCOCCO)O
InChi [?]:
InChI=1/C23H24FNO6/c1-2-31-16-9-7-15(8-10-16)21(27)19-20(17-5-3-4-6-18(17)24)25(23(29)22(19)28)11-13-30-14-12-26/h3-10,20,26,28H,2,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,21,19,22,6,8,5,9,25,29,26,28,7,4,18,23,12,17,10,13,14,24,16,30,11,31,15,27,3/E:(7,8)(9,10)/rA:31cCCOCCCCCCCOCCCONCCCCCCCFCCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s23;s16;s25;s26;s27;s28;s29;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24FNO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:7.92559
Area:634.653
Solvation:-7.94073
Coulombic:-78.5628
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:429.438
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.8
LogP (Chemaxon):1.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue