5-benzyl-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
5-benzyl-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V009-2392 |
| Compound Name: | 5-benzyl-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one |
| Molecular Weight: | 392.56 |
| Molecular Formula: | C24 H28 N2 O S |
| Smiles: | CC1=C(Cc2ccccc2)C(N(C)C(=N1)SCc1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4137 |
| logD: | 5.4137 |
| logSw: | -5.4302 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1882 |
| InChI Key: | FQGOTQORLYZXAU-UHFFFAOYSA-N |