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 |