3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | L150-1217 |
| Compound Name: | 3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C19 H22 F N5 O3 S |
| Smiles: | CCn1c2c(C(N(C)C(N2C)=O)=O)nc1SCCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.526 |
| logD: | 2.526 |
| logSw: | -2.768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.426 |
| InChI Key: | DOTNQOIDMUCQGB-UHFFFAOYSA-N |