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Chemical ID: 4877436
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
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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