Chemical ID: 4151605

Cc1cc(=O)[nH]c(n1)SCc2ccc(cc2)F
Chemical ID:
4151605
Name [?]:
2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-3H-pyrimidin-4-one
SMILES [?]:
Cc1cc(=O)[nH]c(n1)SCc2ccc(cc2)F
InChi [?]:
InChI=1/C12H11FN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,3,10,2,11,14,4,7,17,8,6,5,9/E:(2,3)(4,5)/rA:17nCCCCONCNSCCCCCCCF/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11FN2OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.93653
Area:428.416
Solvation:-2.77388
Coulombic:-30.768
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.293
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.94
LogP (Chemaxon):2.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue