Chemical ID: 6615053

Cc1ccc(cc1F)C(=O)C2=C(C(=O)N(C2c3ccc(cc3F)C(C)C)Cc4ccncc4)O
Chemical ID:
6615053
Name [?]:
5-(2-fluoro-4-isopropyl-phenyl)-4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1F)C(=O)C2=C(C(=O)N(C2c3ccc(cc3F)C(C)C)Cc4ccncc4)O
InChi [?]:
InChI=1/C27H24F2N2O3/c1-15(2)18-6-7-20(22(29)12-18)24-23(25(32)19-5-4-16(3)21(28)13-19)26(33)27(34)31(24)14-17-8-10-30-11-9-17/h4-13,15,24,33H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:25,26,1,3,4,19,18,29,33,30,32,21,6,27,24,2,28,20,5,17,7,22,11,16,9,12,13,8,23,31,15,10,34,14/E:(1,2)(8,9)(10,11)/rA:34cCCCCCCCFCOCCCONCCCCCCCFCCCCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s24;s24;s15;s27;s28;d29;s30;d31;d28s32;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24F2N2O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.2069
Area:670.246
Solvation:-5.54928
Coulombic:-56.003
Bond Count [?]
All:37
Single:25
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:462.488
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.61
LogP (Chemaxon):3.97

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Descriptor Annotations

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