5-[(3-fluorophenyl)methyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-[(3-fluorophenyl)methyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
5-[(3-fluorophenyl)methyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V026-0080 |
| Compound Name: | 5-[(3-fluorophenyl)methyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}-3,6-dimethylpyrimidin-4(3H)-one |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C21 H21 F N2 O2 S |
| Salt: | not_available |
| Smiles: | CC1=C(Cc2cccc(c2)F)C(N(C)C(=N1)SCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7693 |
| logD: | 3.7693 |
| logSw: | -4.0641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.732 |
| InChI Key: | NVNFFJZPJNMXJD-UHFFFAOYSA-N |