9-ethyl-8-{[(3-fluorophenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-ethyl-8-{[(3-fluorophenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
9-ethyl-8-{[(3-fluorophenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0037 |
| Compound Name: | 9-ethyl-8-{[(3-fluorophenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C14 H13 F N4 O S |
| Smiles: | CCn1c2c(C(NC=N2)=O)nc1SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 2.2921 |
| logD: | 2.2914 |
| logSw: | -2.7191 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.427 |
| InChI Key: | PAASRNOKVSZCCV-UHFFFAOYSA-N |