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Chemical ID: 7510320
Chemical ID:
7510320
Name [?]:
N-(4-fluorophenyl)-2-[4-methyl-6-(p-tolyl)pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2cc(nc(n2)SCC(=O)Nc3ccc(cc3)F)C
InChi [?]:
InChI=1/C20H18FN3OS/c1-13-3-5-15(6-4-13)18-11-14(2)22-20(24-18)26-12-19(25)23-17-9-7-16(21)8-10-17/h3-11H,12H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,4,6,21,23,20,24,9,15,2,10,5,22,19,8,16,12,25,11,18,13,17,14/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCCCNCNSCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18FN3OS |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9072 |
Area: | 592.726 |
Solvation: | -3.91096 |
Coulombic: | -36.2436 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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