Chemical ID: 4824941

Cc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)F
Chemical ID:
4824941
Name [?]:
4-(4-fluorobenzoyl)-3-hydroxy-5-(p-tolyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FN2O3/c1-15-2-4-17(5-3-15)21-20(22(28)18-6-8-19(25)9-7-18)23(29)24(30)27(21)14-16-10-12-26-13-11-16/h2-13,21,29H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,25,29,26,28,16,20,17,19,14,2,15,5,24,27,9,8,22,10,11,30,18,13,23,21,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCCCCONCCCCNCCOCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;d16;s17;d18;d15s19;s10;s9;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.69622
Area:605.775
Solvation:-5.44815
Coulombic:-51.8668
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.418
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):2.7

Name Annotations

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Descriptor Annotations

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