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Chemical ID: 5510774
Chemical ID:
5510774
Name [?]:
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(3-fluorophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)SCC(=O)Nc3cccc(c3)F)c4ccccc4
InChi [?]:
InChI=1/C24H18FN3OS/c25-19-12-7-13-20(14-19)26-23(29)16-30-24-27-21(17-8-3-1-4-9-17)15-22(28-24)18-10-5-2-6-11-18/h1-15H,16H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,28,2,6,27,29,20,3,5,26,30,21,19,23,8,14,4,25,22,18,7,9,15,11,24,17,12,10,16,13/E:(1,2)(3,4,5,6)(8,9,10,11)(17,18)(21,22)(27,28)/rA:30nCCCCCCCCCNCNSCCONCCCCCCFCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s9;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18FN3OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1186 |
Area: | 649.924 |
Solvation: | -4.12955 |
Coulombic: | -38.8615 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 415.484 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.25 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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