5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-4804 |
| Compound Name: | 5-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 401.32 |
| Molecular Formula: | C19 H17 Br N2 O S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2849 |
| logD: | 4.2325 |
| logSw: | -4.2961 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.881 |
| InChI Key: | RWXAVNRVOSXMFI-UHFFFAOYSA-N |