2-{[(4-bromophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
2-{[(4-bromophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V001-9156 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4(3H)-one |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C21 H21 Br N2 O2 S |
| Smiles: | CC1=C(Cc2ccc(cc2)OC)C(N(C)C(=N1)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4355 |
| logD: | 4.4355 |
| logSw: | -4.4249 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.732 |
| InChI Key: | OVOGPHKRFMUUFP-UHFFFAOYSA-N |