2-{[(4-tert-butyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(4-tert-butyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile
2-{[(4-tert-butyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V024-3024 |
| Compound Name: | 2-{[(4-tert-butyl-6-phenoxypyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C22 H21 N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccccc1C#N)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0088 |
| logD: | 6.0088 |
| logSw: | -5.6734 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.965 |
| InChI Key: | XAOULCLQROGKKE-UHFFFAOYSA-N |