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Chemical ID: 6615053
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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