4-[({5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
4-[({5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile
4-[({5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V027-8982 |
| Compound Name: | 4-[({5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC1=C(Cc2ccc(cc2)OC)C(N(C)C(=N1)SCc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.256 |
| logD: | 3.256 |
| logSw: | -3.3251 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.788 |
| InChI Key: | REEZLHDGOOUXON-UHFFFAOYSA-N |