8-{[(3-fluorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(3-fluorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-{[(3-fluorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
Compound ID: | J095-0283 |
Compound Name: | 8-{[(3-fluorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
Molecular Weight: | 304.34 |
Molecular Formula: | C14 H13 F N4 O S |
Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCc1cccc(c1)F)=O |
Stereo: | ACHIRAL |
logP: | 2.3626 |
logD: | 2.3617 |
logSw: | -2.8518 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.412 |
InChI Key: | LDQJGMJOFGSGRR-UHFFFAOYSA-N |