2-({[4-tert-butyl-6-(3-fluorophenoxy)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[4-tert-butyl-6-(3-fluorophenoxy)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
2-({[4-tert-butyl-6-(3-fluorophenoxy)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0494 |
| Compound Name: | 2-({[4-tert-butyl-6-(3-fluorophenoxy)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C22 H20 F N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccccc1C#N)Oc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 6.0603 |
| logD: | 6.0603 |
| logSw: | -5.7337 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.965 |
| InChI Key: | RHWIIWJKTITPRC-UHFFFAOYSA-N |