Chemical ID: 4737027

Cc1ccc(cc1)Cc2c(nc(nc2O)SCc3c(cccc3Cl)F)C
Chemical ID:
4737027
Name [?]:
2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-5-(p-tolylmethyl)pyrimidin-4-ol
SMILES [?]:
Cc1ccc(cc1)Cc2c(nc(nc2O)SCc3c(cccc3Cl)F)C
InChi [?]:
InChI=1/C20H18ClFN2OS/c1-12-6-8-14(9-7-12)10-15-13(2)23-20(24-19(15)25)26-11-16-17(21)4-3-5-18(16)22/h3-9H,10-11H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,21,22,20,3,7,4,6,8,17,2,10,5,9,18,23,19,14,12,24,25,11,13,15,16/E:(6,7)(8,9)/rA:26nCCCCCCCCCCNCNCOSCCCCCCCClFC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;s12;s16;s17;s18;d19;s20;d21;d18s22;s23;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClFN2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4873
Area:585.033
Solvation:-3.13858
Coulombic:-34.6322
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.887
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.62
LogP (Chemaxon):6.71

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