6-tert-butyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-3-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
6-tert-butyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-3-methylpyrimidin-4(3H)-one
6-tert-butyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-3-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V025-3178 |
| Compound Name: | 6-tert-butyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-3-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 306.4 |
| Molecular Formula: | C16 H19 F N2 O S |
| Smiles: | CC(C)(C)C1=CC(N(C)C(=N1)SCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7456 |
| logD: | 3.7456 |
| logSw: | -3.9403 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.4429 |
| InChI Key: | SSUOTISTZCNNCT-UHFFFAOYSA-N |