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Chemical ID: 7024529
Chemical ID:
7024529
Name [?]:
5-(4-ethoxyphenyl)-4-(4-fluorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C24H20FNO5/c1-2-30-18-11-7-15(8-12-18)21-20(22(27)16-5-9-17(25)10-6-16)23(28)24(29)26(21)14-19-4-3-13-31-19/h3-13,21,28H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,26,30,6,8,27,29,5,9,20,16,7,25,28,4,17,11,10,23,12,13,31,15,24,22,14,3,21/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCOCCCCCCCCCCONCCCCCOOCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;d17;s18;d19;s17s20;s12;s11;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20FNO5 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.21552 |
Area: | 635.9 |
Solvation: | -7.68197 |
Coulombic: | -59.906 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.18 |
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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