Chemical ID: 7024529

CCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
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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Descriptor Annotations

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