Chemical ID: 4133545

Cc1ccc(cc1F)C(=O)C2=C(C(=O)N(C2c3ccccc3)Cc4cccnc4)O
Chemical ID:
4133545
Name [?]:
4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy-5-phenyl-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1F)C(=O)C2=C(C(=O)N(C2c3ccccc3)Cc4cccnc4)O
InChi [?]:
InChI=1/C24H19FN2O3/c1-15-9-10-18(12-19(15)25)22(28)20-21(17-7-3-2-4-8-17)27(24(30)23(20)29)14-16-6-5-11-26-13-16/h2-13,21,29H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,26,25,18,22,3,4,27,6,29,23,2,24,17,5,7,11,16,9,12,13,8,28,15,10,30,14/E:(3,4)(7,8)/rA:30cCCCCCCCFCOCCCONCCCCCCCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;d25;s26;d27;d24s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.88489
Area:604.32
Solvation:-5.22311
Coulombic:-52.2115
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:4.04
LogP (Chemaxon):2.74

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Descriptor Annotations

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