2-(benzylsulfanyl)-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
2-(benzylsulfanyl)-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V029-6510 |
| Compound Name: | 2-(benzylsulfanyl)-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | CC1=C(Cc2ccc(cc2)OC)C(N(C)C(=N1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6016 |
| logD: | 3.6016 |
| logSw: | -3.7236 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.732 |
| InChI Key: | CRAMBCWOVVPUNM-UHFFFAOYSA-N |