2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-[(3-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-[(3-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-[(3-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V009-9328 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-[(3-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one |
| Molecular Weight: | 410.55 |
| Molecular Formula: | C24 H27 F N2 O S |
| Smiles: | CC1=C(Cc2cccc(c2)F)C(N(C)C(=N1)SCc1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5813 |
| logD: | 5.5813 |
| logSw: | -5.4278 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1882 |
| InChI Key: | HORHMZVYXAIAPX-UHFFFAOYSA-N |