5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V025-1427 |
| Compound Name: | 5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one |
| Molecular Weight: | 415.35 |
| Molecular Formula: | C20 H19 Br N2 O S |
| Smiles: | CC1=C(Cc2ccccc2)C(N(C)C(=N1)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4531 |
| logD: | 4.4531 |
| logSw: | -4.4058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1882 |
| InChI Key: | QLEQTHUWRDUIFA-UHFFFAOYSA-N |